SCHEMBL18119800

SCHEMBL18119800

CCC(=O)NCc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC1 Q13547 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL18119788 0.84 KMT2A (0.56) POLBSMN1; SMN2HDAC1KMT2AKDM4E
SCHEMBL25457352 0.84 HTT (0.58) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL21901451 0.84 HPGD (0.48) SMN1; SMN2HDAC1ALDH1A1HDAC2HDAC3
SCHEMBL18121970 0.83 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1TP53ALDH1A1
SCHEMBL17637139 0.82 MEN1 (0.52) SMN1; SMN2HDAC1KMT2AMEN1ALDH1A1
SCHEMBL21786938 0.81 MEN1 (0.49) HDAC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL21151955 0.81 ERCC1 (0.50) POLBHDAC1KMT2AMEN1ALDH1A1
SCHEMBL29864889 0.81 HTT (0.45) SMN1; SMN2HDAC1KMT2AMEN1ALDH1A1
SCHEMBL17721289 0.81 HTT (0.43) SMN1; SMN2HDAC1ALDH1A1LMNAHTT
SCHEMBL18270260 0.80 SMN1; SMN2 (0.40) SMN1; SMN2HDAC1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013355-A1 HYDROGELS FOR CELL THERAPY ADOCIA (FR) 2024-01-18 — — WO disclosed
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 — — US disclosed
US-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-17 — — US disclosed
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 — — 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 (3 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B POLB 3960/4885SMN1; SMN2 2078/4885HDAC1 1815/4885
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 POLB 4242/4885SMN1; SMN2 4600/4885HDAC1 3420/4885
US-20180135121-A1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS TIAL1, NUP93, PORCN POLB 61/4885SMN1; SMN2 4763/4885HDAC1 4793/4885

“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.

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