SCHEMBL4402292

SCHEMBL4402292

Cc1ccc(C(=N)NO)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ALDH1A1 P00352 8/20 0.50
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 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
SCHEMBL27909996 0.87 TSHR (0.61) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL4402565 0.81 VCAM1 (0.63) SMN1; SMN2MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL4398948 0.80 ALDH1A1 (0.57) TSHRSMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL9202510 0.79 TSHR (0.63) TSHRCES2CES1KMT2ANPC1
SCHEMBL14739143 0.79 TSHR (0.42) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL6924189 0.78 TSHR (0.72) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL17303445 0.78 TSHR (0.77) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL16959576 0.78 TSHR (0.71) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL12229762 0.76 TSHR (0.59) TSHRCES2CES1SMN1; SMN2MEN1
SCHEMBL30668892 0.76 TSHR (1.00) TSHRCES2CES1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
US-9199981-B2 Compounds and compositions as C-kit kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-9023839-B2 Compounds and compositions as c-kit kinase inhibitors IRM LLC (BM) 2015-05-05 US disclosed
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-01-08 US disclosed
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2015-01-08 US disclosed
US-20140228347-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2014-08-14 US disclosed
EP-2751104-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2014-07-09 EP disclosed
EP-2751103-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2014-07-09 EP disclosed
EP-2751102-A1 COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS IRM LLC (BM) 2014-07-09 EP disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033167-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033070-A1 COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US disclosed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US disclosed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 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 (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-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TSHR 4686/4885CES2 3426/4885CES1 2337/4885
US-20150011508-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TSHR 4651/4885CES2 3297/4885CES1 2216/4885
US-20140228347-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB TSHR 4686/4885CES2 3426/4885CES1 2337/4885
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 TSHR 3314/4885CES2 3298/4885CES1 1688/4885

“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.