SCHEMBL3784894

SCHEMBL3784894

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ccccn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
P2RX7 Q99572 4/20 0.36
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
NAMPT P43490 2/20 0.33
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL3786649 0.91 SCD (0.35) TRPV1P2RX7GRM5GRM1SCD
SCHEMBL3686611 0.91 MAPT (0.40) ALDH1A1SMN1; SMN2TRPV1SCDSCD5
SCHEMBL3690381 0.90 NAMPT (0.35) ALDH1A1SMN1; SMN2TRPV1SCDSCD5
SCHEMBL3784628 0.90 TRPV1 (0.43) ALDH1A1SMN1; SMN2TRPV1SCDSCD5
SCHEMBL3789695 0.90 P2RX7 (0.35) TRPV1P2RX7GRM5GRM1SCD
SCHEMBL3785420 0.89 TRPV1 (0.49) TRPV1
SCHEMBL3689929 0.89 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TRPV1SCDSCD5
SCHEMBL3688467 0.88 TRPV1 (0.48) ALDH1A1SMN1; SMN2TRPV1GRM5GRM1
SCHEMBL3695902 0.88 TRPV1 (0.37) ALDH1A1SMN1; SMN2TRPV1GRM5GRM1
SCHEMBL3790581 0.88 TRPV1 (0.42) ALDH1A1SMN1; SMN2TRPV1ELANE

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
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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 (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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ALDH1A1 1337/4885SMN1; SMN2 3448/4885TRPV1 1682/4885

“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.