SCHEMBL15080876

SCHEMBL15080876

CCc1ncc(Br)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GRM5 P41594 1/20 0.35
GBA1 P04062 1/20 0.34
AGBL2 Q5U5Z8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL29338673 0.83 S1PR1 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL16809676 0.81 S1PR1 (0.39) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL2112705 0.81 S1PR1 (0.39) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL1577276 0.81 AGBL2 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL7751886 0.81 S1PR1 (0.39) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL12514790 0.80 KMT2A (0.46) SMN1; SMN2HTTKMT2AGRM5GBA1
SCHEMBL18489099 0.79 S1PR1 (0.35) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL7430667 0.78 S1PR1 (0.37) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL5733354 0.78 S1PR1 (0.34) S1PR1S1PR3SMN1; SMN2HTTKMT2A
SCHEMBL17841682 0.78 AGXT (0.35) S1PR1S1PR3SMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
US-20160333007-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 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 (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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR S1PR1 1292/4885S1PR3 1248/4885SMN1; SMN2 1134/4885
US-20160333007-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B S1PR1 1136/4885S1PR3 1059/4885SMN1; SMN2 4264/4885

“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.