SCHEMBL4159850

SCHEMBL4159850

NC(=O)c1ccc(Cc2ccccn2)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PARP10 Q53GL7 1/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADRA1D P25100 1/20 0.40
PTPRA P18433 1/20 0.40
F2 P00734 1/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL14625761 0.77 HPGD (0.75) HPGDSMN1; SMN2RAB9AHTTLMNA
SCHEMBL4159852 0.76 MAOA (0.49) SMN1; SMN2RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL4158801 0.76 ALOX5 (0.51) HPGDSMN1; SMN2RAB9AHTTLMNA
SCHEMBL9264598 0.74 ALOX5 (0.38) HPGDSMN1; SMN2PARP10HTTLMNA
SCHEMBL16598083 0.72 HRH3 (0.44) HPGDSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL28211956 0.72 SMN1; SMN2 (0.44) HPGDSMN1; SMN2PARP10RAB9AL3MBTL1
SCHEMBL359879 0.71 KDM4E (0.73) RAB9ALMNAPOLBALDH1A1F2
SCHEMBL1792578 0.71 PARP10 (0.49) HPGDSMN1; SMN2PARP10LMNAL3MBTL1
SCHEMBL19224711 0.71 RIPK1 (0.47) HPGDSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL27979568 0.71 HTT (0.41) RAB9AHTTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN disclosed
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 HPGD 1490/4885SMN1; SMN2 4683/4885PARP10 796/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 HPGD 2725/4885SMN1; SMN2 4814/4885PARP10 3140/4885

“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.