SCHEMBL824982

SCHEMBL824982

O=[N+]([O-])c1cccc2c(Cl)nc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 9/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPRT1 P00492 1/20 0.42
NOS1 P29475 2/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.40
PDE10A Q9Y233 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 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
SCHEMBL10262248 0.84 ALDH1A1 (0.53) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2191003 0.84 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5657561 0.81 TDP1 (0.49) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL754052 0.80 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31728659 0.76 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2317723 0.75 ALDH1A1 (0.51) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2379102 0.75 TDP1 (0.62) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11792222 0.74 MAPT (0.42) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4167767 0.73 ALDH1A1 (0.54) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29475175 0.73 TDP1 (1.00) TDP1ALDH1A1POLBSMN1; SMN2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235957-A1 P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102568-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-3975524-A ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 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 (4 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL TDP1 3404/4885ALDH1A1 1107/4885MEN1 4863/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TDP1 3331/4885ALDH1A1 1144/4885MEN1 4867/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TDP1 3331/4885ALDH1A1 1144/4885MEN1 4867/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TDP1 3331/4885ALDH1A1 1144/4885MEN1 4867/4885

“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.