SCHEMBL1509549

SCHEMBL1509549

Cc1cc(C(=O)O)cc([N+](=O)[O-])c1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.56
CASP6 P55212 1/20 0.51
TPMT P51580 1/20 0.50
HCAR3 P49019 6/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL865237 0.87 LMNA (0.65) TSHRLMNACASP6TPMTHCAR3
SCHEMBL4200723 0.83 TSHR (0.60) TSHRLMNACASP6TPMTHCAR3
SCHEMBL4632273 0.82 LMNA (0.64) TSHRLMNACASP6TPMTHCAR3
SCHEMBL3582465 0.82 TSHR (0.64) TSHRLMNACASP6TPMTHCAR3
SCHEMBL636992 0.82 VCAM1 (0.50) TSHRLMNATPMTMAPTALDH1A1
SCHEMBL3597707 0.81 TSHR (0.62) TSHRLMNACASP6TPMTHCAR3
SCHEMBL29795771 0.81 TSHR (0.62) TSHRLMNACASP6TPMTHCAR3
SCHEMBL754672 0.81 TSHR (0.62) TSHRLMNACASP6TPMTHCAR3
SCHEMBL452336 0.81 ALDH1A1 (0.58) TSHRLMNACASP6TPMTHCAR3
SCHEMBL27628930 0.80 LMNA (0.53) TSHRLMNACASP6TPMTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023013996-A1 INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed
CN-112624979-A Preparation method of benzimidazole compound 浙江瑞博制药有限公司 2021-04-09 CN disclosed
CN-102807568-B Thiadiazoles derivative class DPP-IV inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-25 CN disclosed
CN-101743228-B Process for preparing telmisartan KRKA TOVARNA ZDRAVIL D D NOVO MESTO 2014-01-29 CN disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
CN-102807568-A Thiadiazole derivative DPP-IV (dipeptidyl peptidase IV) inhibitor JIANGSU CHIA TAI TIANQING PHAR 2012-12-05 CN disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
CN-1917921-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
CN-1791598-A benzimidazole derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-21 CN disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 TSHR 842/4885LMNA 141/4885CASP6 560/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR TSHR 313/4885LMNA 2724/4885CASP6 2873/4885

“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.