SCHEMBL4228749

SCHEMBL4228749

Cc1ccc(NC(=O)CCl)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HTT P42858 1/20 1.00
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
TP53 P04637 3/20 0.60
HPGD P15428 3/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29643255 1.00 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL9312746 0.87 KMT2A (1.00) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL4001716 0.86 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL13437936 0.85 KMT2A (0.82) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL29528302 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL10603640 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL7264600 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL6572962 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL879229 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL2902945 0.84 KMT2A (0.79) SMN1; SMN2ALDH1A1HTTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524749-A N-diethyl acetyl-2, 6-dimethylaniline crystal and preparation method thereof 遂成药业股份有限公司 2022-05-24 CN claimed
CN-116947772-A 1,2, 4-triazole-phenylacetamide alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2023-10-27 CN disclosed
CN-114524749-A N-diethyl acetyl-2, 6-dimethylaniline crystal and preparation method thereof 遂成药业股份有限公司 2022-05-24 CN disclosed
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
US-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2012-11-08 US disclosed
US-8252828-B2 S-triazolyl α-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2011-12-22 US disclosed
US-8003681-B2 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid and methyl ester ARDEA BIOSCIENCES, INC. (US) 2011-08-23 US disclosed
US-7947721-B2 able to inhibit various mutated RTs, including K103N, Y181C and Y188L Ardes Biosciences Inc. (US) 2011-05-24 US disclosed
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2010-10-21 US disclosed
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
US-4530923-A N-acetamilide, N-(phenoxy-2-propanol)- and N-(phenylamino-2-propanol)-cyclicamines EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1985-07-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 SMN1; SMN2 1839/4885ALDH1A1 974/4885HTT 358/4885
US-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885ALDH1A1 1407/4885HTT 3263/4885
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 SMN1; SMN2 1836/4885ALDH1A1 1839/4885HTT 2504/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885ALDH1A1 1407/4885HTT 3263/4885
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 SMN1; SMN2 2201/4885ALDH1A1 1135/4885HTT 2878/4885
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SMN1; SMN2 2651/4885ALDH1A1 1407/4885HTT 3263/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 SMN1; SMN2 2545/4885ALDH1A1 1574/4885HTT 2961/4885
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, DECR1 SMN1; SMN2 2041/4885ALDH1A1 1632/4885HTT 2549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.