SCHEMBL9611270

SCHEMBL9611270

CC(C)(C)C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 4/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
TSHR P16473 3/20 0.42
GLA P06280 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL30881933 0.84 NPSR1 (0.54) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL31222331 0.84 SMN1; SMN2 (0.47) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL11504157 0.83 NPSR1 (0.52) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL11583122 0.83 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL11032674 0.81 KMT2A (0.53) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8946139 0.80 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3283283 0.80 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL28240299 0.79 KMT2A (0.50) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL12848104 0.79 RIPK1 (0.57) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL14362033 0.79 NPSR1 (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031477-B Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2023-12-05 CN disclosed
CN-114031477-A Method for reducing amide compounds into amine compounds by cobalt catalysis 浙江工业大学 2022-02-11 CN disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-10646490-B2 Thieno- and pyrrolopyrimidine analogues and prodrugs thereof as anticancer agents and methods of use thereof UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2020-05-12 US disclosed
US-20190160071-A1 THIENO- AND PYRROLOPYRIMIDINE ANALOGUES AND PRODRUGS THEREOF AS ANTICANCER AGENTS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2019-05-30 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SIGNUM BIOSCIENCES, INC. (US) 2010-09-30 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 (6 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-20190160071-A1 THIENO- AND PYRROLOPYRIMIDINE ANALOGUES AND PRODRUGS THEREOF AS ANTICANCER AGENTS AND METHODS OF USE THEREOF TYMP, TK1, TYMS KMT2A 2096/4885MEN1 3219/4885CYP3A4 159/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KMT2A 4485/4885MEN1 2419/4885CYP3A4 3818/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 KMT2A 3517/4885MEN1 2752/4885CYP3A4 333/4885
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT KMT2A 983/4885MEN1 4170/4885CYP3A4 1189/4885
US-10646490-B2 Thieno- and pyrrolopyrimidine analogues and prodrugs thereof as anticancer agents and methods of use thereof TYMP, TK1, TYMS KMT2A 2096/4885MEN1 3219/4885CYP3A4 159/4885
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SSB, NFKBIA, FABP1 KMT2A 4764/4885MEN1 4705/4885CYP3A4 1024/4885

“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.