SCHEMBL3787672

SCHEMBL3787672

O=C(Cc1ccccc1F)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
HIF1A Q16665 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ELOVL1 Q9BW60 2/20 0.36
ACHE P22303 1/20 0.36
METTL3 Q86U44 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P2RX7 Q99572 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3692029 0.91 HIF1A (0.40) LMNAHPGDHIF1ATRPV1KDM4E
SCHEMBL3696257 0.89 ALDH1A1 (0.40) LMNAHPGDRAB9AKDM4EALDH1A1
SCHEMBL3790970 0.86 ALDH1A1 (0.46) LMNAHPGDRAB9AALDH1A1GAA
SCHEMBL3703006 0.86 TP53 (0.40) LMNAHPGDTRPV1RAB9AALDH1A1
SCHEMBL3786911 0.86 TRPV1 (0.42) LMNATRPV1RAB9AGAAACHE
SCHEMBL3691436 0.86 HPGD (0.52) HPGDRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3694548 0.84 ALDH1A1 (0.46) LMNAHPGDRAB9AKDM4ESMN1; SMN2
SCHEMBL3790494 0.83 KDM4E (0.47) HPGDKDM4EALDH1A1GAAHSD17B10
SCHEMBL3792676 0.83 MALT1 (0.37) HPGDTRPV1KDM4EALDH1A1HSD17B10
SCHEMBL3708239 0.83 GLS (0.40) LMNAHPGDKDM4EALDH1A1GAA

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 6 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
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
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

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 LMNA 1511/4885HPGD 446/4885HIF1A 551/4885

“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.