SCHEMBL3672529

SCHEMBL3672529

Cc1ncc([N+](=O)[O-])c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PIN1 Q13526 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
GSK3B P49841 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL29066096 0.98 TDP1 (0.38) TDP1SMN1; SMN2HSD17B10ALDH1A1PIN1
Formamide SCHEMBL29002500 0.91 ALDH1A1 (0.36) TDP1SMN1; SMN2HSD17B10ALDH1A1PIN1
SCHEMBL12276575 0.84 PIN1 (0.53) HSD17B10PIN1
SCHEMBL8258380 0.82 PIN1 (0.40) TDP1SMN1; SMN2HSD17B10ALDH1A1PIN1
SCHEMBL4637128 0.80 PIN1 (0.50) PIN1
SCHEMBL10282358 0.80 MAPT (0.51) TDP1ALDH1A1PIN1MAPTLMNA
SCHEMBL2632674 0.80 ALDH1A1 (0.41) TDP1SMN1; SMN2HSD17B10ALDH1A1PIN1
SCHEMBL12639162 0.80 GPR35 (0.42) TDP1SMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL12639147 0.77 KMT2A (0.43) TDP1SMN1; SMN2ALDH1A1PIN1MAPT
SCHEMBL12305499 0.77 ALDH1A1 (0.43) TDP1HSD17B10ALDH1A1PIN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-20230219958-A1 Development of Potential Antidotes for Arsenicals THE UAB RESEARCH FOUNDATION 2023-07-13 US disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
WO-2021213460-A1 TRICYCLIC KINASE INHIBITOR 山东轩竹医药科技有限公司 (CN) 2021-10-28 WO disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 US disclosed
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 US disclosed
CN-108250128-A Compound as potassium channel modulating agents 江苏先声药业有限公司 2018-07-06 CN disclosed
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-7622463-B2 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-24 US disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
US-7507726-B2 Peptide deformylase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2009-03-24 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080167302-A1 Peptide Deformylase Inhibitors GLAXOSMITHKLINE LLC 2008-07-10 US disclosed
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
CN-1553909-A Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors 2004-12-08 CN 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 (12 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH TDP1 147/4885SMN1; SMN2 3820/4885HSD17B10 3897/4885
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 TDP1 4582/4885SMN1; SMN2 3111/4885HSD17B10 4629/4885
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC TDP1 329/4885SMN1; SMN2 938/4885HSD17B10 4747/4885
US-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 TDP1 186/4885SMN1; SMN2 1996/4885HSD17B10 2584/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP TDP1 311/4885SMN1; SMN2 849/4885HSD17B10 4555/4885
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 TDP1 1346/4885SMN1; SMN2 2087/4885HSD17B10 2932/4885
US-20080167289-A1 Dihydrodiazepines useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP4K2 TDP1 1088/4885SMN1; SMN2 2058/4885HSD17B10 1762/4885
US-20080167302-A1 Peptide Deformylase Inhibitors PDF, PEPD, DPEP1 TDP1 505/4885SMN1; SMN2 2654/4885HSD17B10 2817/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS TDP1 200/4885SMN1; SMN2 969/4885HSD17B10 3329/4885
US-20230219958-A1 Development of Potential Antidotes for Arsenicals RIPK1, RIPK3, RIPK4 TDP1 1825/4885SMN1; SMN2 4670/4885HSD17B10 4789/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 TDP1 4582/4885SMN1; SMN2 3111/4885HSD17B10 4629/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 TDP1 4698/4885SMN1; SMN2 3181/4885HSD17B10 4644/4885

“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.