SCHEMBL8401808

SCHEMBL8401808

CCNC(=O)c1cc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 2/20 0.70
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
HDAC3 O15379 2/20 0.62
PKM P14618 2/20 0.62
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62

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
SCHEMBL5158643 0.83 TAS1R3 (0.55) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL5592854 0.83 TP53 (0.69) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL31235656 0.83 HDAC1 (0.76) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL9212451 0.83 HDAC1 (0.76) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL8292253 0.83 TP53 (0.68) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL19476629 0.83 TP53 (1.00) TP53SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL11379610 0.83 SMN1; SMN2 (0.73) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL9690588 0.82 SMN1; SMN2 (0.63) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL10842922 0.82 TP53 (0.63) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3
SCHEMBL5095558 0.82 SMN1; SMN2 (0.63) TP53SMN1; SMN2ALDH1A1HPGDTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20170348424-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2017-12-07 US disclosed
US-9770519-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20160067353-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2016-03-10 US disclosed
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
US-20150064112-A1 USE OF T1R3 VENUS FLYTRAP REGION POLYPEPTIDE TO SCREEN FOR TASTE MODUALTORS SENOMYX, INC. 2015-03-05 US disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed
US-20120321583-A1 Protein-Polymer-Drug Conjugates MERSANA THERAPEUTICS, INC. (US) 2012-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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 (5 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-20170348424-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, CLTB, BRAP TP53 2609/4885SMN1; SMN2 3773/4885ALDH1A1 3556/4885
US-20160067353-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, CLTB, BRAP TP53 2609/4885SMN1; SMN2 3773/4885ALDH1A1 3556/4885
US-20120321583-A1 Protein-Polymer-Drug Conjugates PBRM1, CLTB, BRAP TP53 2609/4885SMN1; SMN2 3773/4885ALDH1A1 3556/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 TP53 1423/4885SMN1; SMN2 2323/4885ALDH1A1 854/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV TP53 524/4885SMN1; SMN2 3613/4885ALDH1A1 1863/4885

“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.