SCHEMBL1399686

SCHEMBL1399686

Nc1c([N+](=O)[O-])ccc(O)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 2/20 0.52
HIF1A Q16665 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CTSB P07858 2/20 0.47
MAPT P10636 4/20 0.45
CASP6 P55212 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GPR35 Q9HC97 4/20 0.44

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
SCHEMBL12809082 0.82 TP53 (0.36) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL29833732 0.82 SMN1; SMN2 (0.57) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL1283268 0.82 SMN1; SMN2 (0.57) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL6712883 0.82 MAPK1 (0.57) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL8311312 0.80 MAPK1 (0.55) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL30198648 0.80 MAPK1 (0.55) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL19329434 0.80 ALDH1A1 (0.48) TSHRMAPK1CYP3A4HIF1AALOX15
SCHEMBL27718719 0.80 HPGD (0.55) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL938956 0.80 TDP1 (0.48) TSHRSMN1; SMN2TP53HPGDMAPK1
SCHEMBL1962854 0.78 GPR35 (0.55) TSHRSMN1; SMN2TP53HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-04-25 US disclosed
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP disclosed
CN-102197031-A Substituted 5-aminopyrazoles and use thereof BAYER SCHERING PHARMA AG 2011-09-21 CN disclosed
EP-2035417-B1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2009-08-06 US disclosed
CN-101460492-A Benzimidazoles and their use for the treatment of diabetes ASTRAZENECA AB (SE) 2009-06-17 CN disclosed
EP-2035417-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141517-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATEMNT OF DIABETES ASTRAZENECA AB (SE) 2007-12-13 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-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ABL1, LCK, ERBB2 TSHR 1980/4885SMN1; SMN2 4172/4885TP53 319/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 TSHR 1980/4885SMN1; SMN2 4172/4885TP53 319/4885
US-20090197926-A1 BENZIMIDAZOLES AND THEIR USE FOR THE TREATMENT OF DIABETES DGAT1, ACAT1, DGAT2 TSHR 2162/4885SMN1; SMN2 4865/4885TP53 3661/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT TSHR 3887/4885SMN1; SMN2 2155/4885TP53 1591/4885

“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.