SCHEMBL4151886

SCHEMBL4151886

Nc1nc2[nH]ccc2cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRB P23467 1/20 0.44
PTPRE P23469 1/20 0.44
PTPN6 P29350 1/20 0.44
KEAP1 Q14145 1/20 0.42
IDO1 P14902 1/20 0.41
RIPK1 Q13546 1/20 0.40
MAP4K1 Q92918 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDK8 P49336 3/20 0.38
CDK7 P50613 2/20 0.38
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL5925880 0.81 PTPRC (0.45) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL29566015 0.79 ALDH1A1 (0.50) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL4793941 0.79 ALDH1A1 (0.50) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL1680373 0.77 NUDT1 (0.52) KDM4EALDH1A1HPGDHSD17B10CHEK2
SCHEMBL27982631 0.77 PTPRC (0.42) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL1779836 0.76 POLB (0.49) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL31403547 0.76 POLB (0.49) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL24005747 0.74 CDK8 (0.39) RIPK1MAP4K1CDK8CDK7CCNT1
SCHEMBL6493825 0.72 NUDT1 (0.41) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL16247169 0.71 KDM4E (0.47) RIPK1MAP4K1KDM4ECDK8CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PTPRC 2908/4885PTPN2 3110/4885PTPN1 2645/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PTPRC 2114/4885PTPN2 2558/4885PTPN1 1882/4885

“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.