SCHEMBL1136673

SCHEMBL1136673

O=[N+]([O-])n1ccccc1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CA3 P07451 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
MAPK1 P28482 1/20 0.45
CA5A P35218 1/20 0.45
HTT P42858 1/20 0.45
CA7 P43166 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28113971 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TP53TSHR
SCHEMBL29433155 0.67 ALOX15 (0.90) ALDH1A1LMNAHSD17B10KDM4ECA12
SCHEMBL9015208 0.67 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHRTDP1
SCHEMBL4080987 0.65 CDK4 (0.43) ALDH1A1LMNACA12HPGDTSHR
SCHEMBL30522768 0.65 CDK4 (0.43) ALDH1A1LMNACA12HPGDTSHR
SCHEMBL3244128 0.64
SCHEMBL10333381 0.63 LMNA (0.34) ALDH1A1LMNAHPGDHSP90AA1RAB9A
SCHEMBL6800419 0.63 L3MBTL1 (0.41) ALDH1A1LMNAKDM4ETP53MAPT
SCHEMBL7015023 0.63 GAA (0.45) ALDH1A1LMNAHSD17B10KDM4EMAPT
SCHEMBL29373914 0.62 ALOX15 (0.90) ALDH1A1LMNAHSD17B10KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49918-E1 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-04-16 US disclosed
EP-3666289-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2020-06-17 EP disclosed
US-10570212-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-02-25 US disclosed
EP-3053600-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-01-29 EP disclosed
US-20190263924-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-08-29 US disclosed
US-10364294-B2 Methods of preparation of conjugates IMMUNOGEN, INC. (US) 2019-07-30 US disclosed
EP-3498303-A1 METHODS OF PREPARATION OF CONJUGATES ImmunoGen, Inc. (US) 2019-06-19 EP disclosed
US-10179818-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-01-15 US disclosed
EP-2675480-B1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN INC (US) 2018-12-26 EP disclosed
US-20180037659-A1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN, INC. 2018-02-08 US disclosed
EP-1819687-A2 CYTOTOXIC AGENTS COMPRISING NEW C-2 MODIFIED TAXANES Aventis Pharma S.A. (FR) 2007-08-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 WO disclosed
EP-1813614-A1 Cytotoxic agents comprising new tomaymycin derivatives Sanofi-Aventis (FR) 2007-08-01 EP disclosed
US-20060178427-A1 Cytotoxic agents comprising new taxanes AVENTIS PHARMA S.A. (FR) 2006-08-10 US disclosed
WO-2006061258-A2 CYTOTOXIC AGENTS COMPRISING NEW TAXANES AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
WO-2006061259-A2 CYTOTOXIC AGENTS COMPRISING NEW C-2 MODIFIED TAXANES AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed
US-6913748-B2 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs IMMUNOGEN, INC. (US) 2005-07-05 US disclosed
EP-1542723-A2 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS Immunogen, Inc. (US) 2005-06-22 EP disclosed
US-20040039176-A1 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs IMMUNOGEN, INC. 2004-02-26 US disclosed
WO-2004016801-A2 CROSS-LINKERS WITH HIGH REACTIVITY AND SOLUBILITY AND THEIR USE IN THE PREPARATION OF CONJUGATES FOR TARGETED DELIVERY OF SMALL MOLECULE DRUGS IMMUNOGEN, INC. (US) 2004-02-26 WO 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 (7 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-10179818-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 623/4885LMNA 2320/4885HSD17B10 1226/4885
US-10570212-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 623/4885LMNA 2320/4885HSD17B10 1226/4885
US-20060178427-A1 Cytotoxic agents comprising new taxanes TP53, MCL1, TOP2A ALDH1A1 2557/4885LMNA 1893/4885HSD17B10 3603/4885
US-20180037659-A1 METHODS OF PREPARATION OF CONJUGATES MCL1, EPCAM, PAICS ALDH1A1 847/4885LMNA 1318/4885HSD17B10 3786/4885
US-10364294-B2 Methods of preparation of conjugates MCL1, EPCAM, PAICS ALDH1A1 847/4885LMNA 1318/4885HSD17B10 3786/4885
US-20040039176-A1 Cross-linkers with high reactivity and solubility and their use in the preparation of conjugates for targeted delivery of small molecule drugs CD44, ABCG2, EPCAM ALDH1A1 1402/4885LMNA 4321/4885HSD17B10 3412/4885
US-20190263924-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 623/4885LMNA 2320/4885HSD17B10 1226/4885

“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.