SCHEMBL148003

SCHEMBL148003

N#Cc1ccc2c(c1)C(=O)OC2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.54
MAOA P21397 13/20 0.53
MAOB P27338 12/20 0.53
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 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
SCHEMBL1641 0.86 PRF1 (0.65) PRF1MAOAMAOBKCNJ1KCNH2
SCHEMBL29366960 0.86 PRF1 (0.65) PRF1MAOAMAOBKCNJ1KCNH2
SCHEMBL10921243 0.80 MAPT (0.50) PRF1MAOAMAOBKMT2AGAA
Tetrahydrofuran SCHEMBL22089885 0.78 PRF1 (0.56) PRF1MAOAMAOBKCNJ1KCNH2
SCHEMBL8798324 0.78 MAPT (0.62) MAOAMAOBKMT2AGAAMAPT
Benzonitrile SCHEMBL29071525 0.77 MAOA (0.69) PRF1MAOAMAOBKCNJ1KCNH2
Toluene SCHEMBL28417431 0.77 PRF1 (0.55) PRF1MAOAMAOBKCNJ1KCNH2
SCHEMBL14397627 0.76 KMT2A (0.65) PRF1MAOAKMT2AGAAMAPT
SCHEMBL6104915 0.76 MAOA (0.50) MAOAMAOB
SCHEMBL10923806 0.75 MAPT (0.39) PRF1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9402842-B2 Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (Tdp1)—topoisomerase I (Top1) inhibitors PURDUE RESEARCH FOUNDATION (US) 2016-08-02 US disclosed
US-20160081999-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2016-03-24 US disclosed
US-9175002-B2 Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (Tdp1)—topoisomerase I (Top1) inhibitors PURDUE RESEARCH FOUNDATION (US) 2015-11-03 US disclosed
US-20150133445-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 US disclosed
US-8912213-B2 Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (TDP1)- topoisomerase I (TOP1) inhibitors PURDUE RESEARCH FOUNDATION (US) 2014-12-16 US disclosed
EP-2391602-B1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-12-04 EP disclosed
US-8362065-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
CN-102325753-A Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed
US-8084620-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
CN-100349569-C Water-soluble triazole fungicide SANKYO CO (JP) 2007-11-21 CN disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
CN-1720913-A Water-soluble triazole fungicide SANKYO CO (JP) 2006-01-18 CN disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
CN-1503795-A Water-soluble triazole antifungal agents ������������ʽ���� 2004-06-09 CN disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
EP-0911320-B1 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2002-07-24 EP disclosed
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed
CN-1224712-A 1,2-Di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-08-04 CN disclosed
EP-0911320-A2 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 1999-04-28 EP 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-20150133445-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS TDP1, TOP1, TDP2 PRF1 2329/4885MAOA 720/4885MAOB 711/4885
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 PRF1 2843/4885MAOA 3150/4885MAOB 2629/4885
US-20160081999-A1 SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS TDP1, TOP1, TDP2 PRF1 2329/4885MAOA 720/4885MAOB 711/4885
US-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH PRF1 269/4885MAOA 1236/4885MAOB 1364/4885

“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.