SCHEMBL877985

SCHEMBL877985

O=C(O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
ALDH1A1 P00352 6/20 0.55
TYMP P19971 1/20 0.54
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CRHBP P24387 1/20 0.50
CASP3 P42574 1/20 0.50
CRHR2 Q13324 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL7916730 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7224442 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11212940 0.84 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11212945 0.84 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11904034 0.82 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9787226 0.82 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11876632 0.80 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11602488 0.80 HSP90AA1 (0.59) FFAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5288477 0.80 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8030765 0.80 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119147668-B Method for detecting monochloroacetic acid content in cocamidopropyl betaine and application thereof 广州星业科技股份有限公司 2025-02-14 CN disclosed
CN-119147668-A Method for detecting monochloroacetic acid content in cocamidopropyl betaine and application thereof 广州星业科技股份有限公司 2024-12-17 CN disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
US-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors VANKAYALAPATI HARIPRASAD 2010-09-02 US disclosed
WO-2010098866-A1 CYCLOPENTATHIOPHENE/CYCLOHEXATHIOPHENE DNA METHYLTRANSFERASE INHIBITORS SUPERGEN, INC. (US) 2010-09-02 WO disclosed
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed
US-4461911-A FROM THIOGLYCOLIC ACID AND AN ARYLDIAZONIUM SALT, COPPER SALT, ACID MEDIUM BAYER AKTIENGESELLSCHAFT (DE) 1984-07-24 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 (2 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-20100222381-A1 Cyclopentathiophene/cyclohexathiophene DNA methyltransferase inhibitors DNMT3B, DNMT1, DNMT3L FFAR1 4638/4885ALDH1A1 982/4885TYMP 26/4885
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor MTTP, CETP, APOB FFAR1 665/4885ALDH1A1 1592/4885TYMP 943/4885

“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.