SCHEMBL3765867

SCHEMBL3765867

Clc1nc(-c2cccnc2)ns1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.67
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
CYP2A6 P11509 5/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
PPARA Q07869 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL8043705 0.80 CYP19A1 (1.00) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL930343 0.79 ADORA3 (0.59) SMN1; SMN2TP53LMNAHTTNPC1
SCHEMBL30585815 0.79 CYP19A1 (0.67) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL9230808 0.79 CYP19A1 (0.67) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL6529695 0.79 CYP19A1 (0.67) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL3761164 0.77 MAPT (0.62) CYP19A1SMN1; SMN2KDM4EMAPTHSD17B10
SCHEMBL14755613 0.76 CYP19A1 (0.39) CYP19A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL25083884 0.75 CYP19A1 (0.61) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL25883843 0.75 CYP19A1 (0.61) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL5032444 0.74 SMN1; SMN2 (0.73) CYP19A1SMN1; SMN2TP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
EP-2188265-A1 PROCESS FOR PREPARATION OF AMORPHOUS LOPINAVIR Ranbaxy Laboratories Limited (IN) 2010-05-26 EP disclosed
WO-2009019661-A1 PROCESS FOR PREPARATION OF AMORPHOUS LOPINAVIR RANBAXY LABORATORIES LIMITED (IN) 2009-02-12 WO disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (1 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 CYP19A1 788/4885SMN1; SMN2 2454/4885TP53 4832/4885

“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.