SCHEMBL3786911

SCHEMBL3786911

O=C(Cc1cccc(F)c1)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.42
SRC P12931 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
GLS O94925 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 1/20 0.36
METTL3 Q86U44 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LMNA P02545 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
SCHEMBL3696257 0.91 ALDH1A1 (0.40) SRCRAB9AGAATSHRKMT2A
SCHEMBL3692752 0.90 GLS (0.42) TRPV1SRCRAB9AMAPK1GLS
SCHEMBL3703006 0.90 TP53 (0.40) TRPV1RAB9AGAATSHRKMT2A
SCHEMBL3790970 0.87 ALDH1A1 (0.46) SRCRAB9AGLSGAATSHR
SCHEMBL3787672 0.86 LMNA (0.40) TRPV1RAB9AACHEGAAKMT2A
SCHEMBL3696031 0.84 MTOR (0.46) SRCRAB9ATSHRKMT2ACLK4
SCHEMBL3691436 0.84 HPGD (0.52) RAB9AMAPK1GAAKMT2ANPC1
SCHEMBL3708239 0.83 GLS (0.40) GLSGAATSHRKMT2ACLK4
SCHEMBL3694548 0.83 ALDH1A1 (0.46) RAB9AGAATSHRKMT2ANPC1
SCHEMBL3684337 0.82 HDAC6 (0.38) RAB9AMAPK1ACHEGAAKMT2A

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
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
WO-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 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
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
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 TRPV1 1682/4885SRC 3094/4885RAB9A 3638/4885

“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.