SCHEMBL950894

SCHEMBL950894

O=C(NCc1ccccc1Cl)c1n[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
KDM4E B2RXH2 3/20 0.68
GAA P10253 2/20 0.68
ALDH1A1 P00352 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
EPHB3 P54753 1/20 0.62
MAPK10 P53779 1/20 0.62
HSD17B10 Q99714 1/20 0.62
RAB9A P51151 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
MAPK3 P27361 1/20 0.57
MAPK1 P28482 1/20 0.57
SIRT1 Q96EB6 1/20 0.56
YTHDC1 Q96MU7 1/20 0.56
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
CSNK2A1 P68400 1/20 0.54

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
SCHEMBL4525874 0.91 ALDH1A1 (0.61) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL952028 0.82 SMN1; SMN2 (0.77) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL952273 0.78 KDM4E (0.68) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL951202 0.77 FLT3 (0.67) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL8373049 0.77 SMN1; SMN2 (0.63) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL955081 0.77 EPHB3 (1.00) NPC1KDM4EGAAEPHB3RAB9A
SCHEMBL954391 0.76 KDM4E (1.00) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL958960 0.75 KDM4E (0.64) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL954666 0.75 KDM4E (0.64) NPC1KDM4EGAAALDH1A1L3MBTL1
SCHEMBL2021679 0.75 YTHDC1 (0.71) NPC1KDM4EGAAALDH1A1EPHB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885KDM4E 2696/4885GAA 1706/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885KDM4E 2696/4885GAA 1706/4885

“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.