SCHEMBL2930071

SCHEMBL2930071

NC(=O)c1[nH]c2cc([N+](=O)[O-])c(Br)cc2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GAA P10253 5/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 4/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 5/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2931023 0.87 GAA (0.39) GAAKMT2AMAPTTDP1LMNA
SCHEMBL2924630 0.85 SMN1; SMN2 (0.47) ALDH1A1GAAKMT2AMAPTTDP1
SCHEMBL2927643 0.84 GAA (0.37) GAAKMT2AMAPTPOLBLMNA
SCHEMBL2923383 0.82 ALDH1A1 (0.46) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL2927462 0.79 TP53 (0.44) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL2930507 0.79 MAP2 (0.43) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL2924798 0.78 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL2925068 0.78 KMT2A (0.55) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL2927620 0.76 GAA (0.41) ALDH1A1GAATDP1MAPK1L3MBTL1
SCHEMBL2351105 0.76 MAP2 (0.44) ALDH1A1GAAMAPTTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP claimed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US claimed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP claimed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US claimed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO claimed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ALDH1A1 2434/4885GAA 3410/4885KMT2A 1038/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 ALDH1A1 4426/4885GAA 1689/4885KMT2A 1485/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ALDH1A1 2434/4885GAA 3410/4885KMT2A 1038/4885

“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.