SCHEMBL7489902

SCHEMBL7489902

O=C(NCc1cccs1)c1cn2cc(C(F)(F)F)cc(C(F)(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
CPT1A P50416 1/20 0.44
PKM P14618 1/20 0.44
TRPA1 O75762 1/20 0.44
KDM4E B2RXH2 1/20 0.43
METTL3 Q86U44 1/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7486897 0.89 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7494559 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7493424 0.84 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7486958 0.84 HTT (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7490247 0.82 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7489677 0.81 CFTR (0.42) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL7494286 0.79 HDAC1 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7492067 0.79 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7491373 0.72 PKM (0.46) RAB9ANPC1SMN1; SMN2LMNACPT1A
SCHEMBL3698026 0.72 RXFP1 (0.46) RAB9ANPC1SMN1; SMN2LMNAPKM

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
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US 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 3638/4885NPC1 229/4885SMN1; SMN2 3448/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RAB9A 3638/4885NPC1 229/4885SMN1; 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.