SCHEMBL12102408

SCHEMBL12102408

[C-]#[N+]c1cc(-c2nnc(Br)s2)ccc1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
SNCA P37840 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR3 Q99500 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12102392 0.86 KDM4E (0.50) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL12102484 0.80 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL1293378 0.76 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL12102477 0.74 GABRA1 (0.33)
SCHEMBL12102409 0.73 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL12102428 0.73 S1PR1 (0.42) S1PR1S1PR3CYP2C9
SCHEMBL12102437 0.71 S1PR1 (0.35) S1PR1SNCAHPGDKDM4ESMN1; SMN2
SCHEMBL12102427 0.71 S1PR1 (0.37) S1PR1
SCHEMBL12102438 0.70 S1PR1 (0.34) S1PR1
SCHEMBL12102475 0.67 MAPT (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885SNCA 230/4885HPGD 517/4885

“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.