SCHEMBL3690256

SCHEMBL3690256

O=C(O)C=Cc1cc(-c2ccccc2)cn2c(Cl)c(C(=O)NCc3cccs3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 6/20 0.44
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3690251 1.00 RAB9A (0.46) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL3700690 0.92 RAB9A (0.43) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL3700688 0.92 RAB9A (0.43) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7499668 0.91 RAB9A (0.46) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7489297 0.89 LMNA (0.42) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7494194 0.86 SMN1; SMN2 (0.52) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7493760 0.84 SMN1; SMN2 (0.50) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7487587 0.82 SMN1; SMN2 (0.48) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL3699109 0.81 SMN1; SMN2 (0.47) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL7489161 0.81 SMN1; SMN2 (0.46) RAB9ALMNASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 RAB9A 3638/4885LMNA 1511/4885SMN1; SMN2 3448/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RAB9A 3638/4885LMNA 1511/4885SMN1; SMN2 3448/4885

“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.