SCHEMBL2807656

SCHEMBL2807656

Sc1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
GRM5 P41594 3/20 0.49
HAO1 Q9UJM8 1/20 0.44
NPC1 O15118 1/20 0.44
HCRTR1 O43613 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2810254 0.79 ERN1 (0.56) ERN1GRM5HAO1
SCHEMBL4978340 0.79 ERN1 (0.49) ERN1GRM5HAO1
SCHEMBL2809759 0.79 ERN1 (0.49) ERN1GRM5
SCHEMBL1809895 0.79 FFAR1 (0.58) GRM5NPC1RAB9A
SCHEMBL30214468 0.79 FFAR1 (0.58) GRM5NPC1RAB9A
Hydrochloric Acid SCHEMBL19668206 0.77 FFAR1 (0.57) GRM5NPC1RAB9A
SCHEMBL4980429 0.77 GRM5 (0.68) GRM5HAO1NPC1HCRTR1RAB9A
SCHEMBL352291 0.77 GRM5 (0.65) GRM5
SCHEMBL25841112 0.76 GRM5 (0.49) ERN1GRM5NPC1HCRTR1RAB9A
Hydrochloric Acid SCHEMBL3839867 0.76 GRM5 (0.67) GRM5HAO1NPC1HCRTR1RAB9A

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ERN1 1196/4885GRM5 2797/4885HAO1 425/4885

“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.