SCHEMBL2687247

SCHEMBL2687247

Cn1nnc(-c2ccccc2)c1CO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LPAR1 Q92633 1/20 0.45
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PTGIR P43119 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SLC9A1 P19634 1/20 0.36
KEAP1 Q14145 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL21834138 0.83 CCNC (0.46) LPAR1POLBALDH1A1KDM4ENPC1
SCHEMBL19715767 0.83 LPAR1 (0.52) SMN1; SMN2LPAR1POLBALDH1A1KDM4E
SCHEMBL2687825 0.83 CSNK1D (0.43) LPAR1ALDH1A1NPC1RAB9A
SCHEMBL25045047 0.79 LPAR1 (0.41) LPAR1
SCHEMBL12523116 0.77 NPC1 (0.47) SMN1; SMN2POLBALDH1A1HTTNPC1
SCHEMBL2687426 0.77 DHODH (0.38) ALDH1A1KDM4ENOTUM
SCHEMBL22230732 0.77 MAPT (0.41) SMN1; SMN2LPAR1POLBALDH1A1KDM4E
SCHEMBL23856143 0.76 PDE10A (0.35) LPAR1NPC1RAB9A
SCHEMBL15543675 0.76 CCNC (0.41) LPAR1ALDH1A1
SCHEMBL822713 0.73 KEAP1 (0.45) SMN1; SMN2ALDH1A1KDM4EHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098545-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2025-05-15 WO disclosed
EP-4553080-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2025-05-14 EP disclosed
CN-103221402-B Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2015-06-17 CN disclosed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 SMN1; SMN2 4703/4885LPAR1 1145/4885POLB 4757/4885

“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.