SCHEMBL9895828

SCHEMBL9895828

Cn1nnc(-c2ccccc2Cl)c1C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.41
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL9895453 0.84 DHFR (0.38) HSD11B1HPGDNPC1RAB9AL3MBTL1
SCHEMBL9895905 0.84 HSD11B1 (0.45) HSD11B1DPP4DPP8HPGDNPC1
SCHEMBL9894869 0.72 PTPN1 (0.45) HPGDRAB9AMAPTTP53HSD17B10
SCHEMBL9895018 0.68 MAPT (0.39) HSD11B1HPGDNPC1RAB9AMAPT
SCHEMBL28431605 0.67 SMN1; SMN2 (0.39) HPGDNPC1RAB9AL3MBTL1TP53
SCHEMBL461125 0.66 KMT2A (0.47) HSD11B1HSD17B10KMT2AALDH1A1CYP2C19
SCHEMBL31673611 0.66 KMT2A (0.47) HSD11B1HSD17B10KMT2AALDH1A1CYP2C19
SCHEMBL12528323 0.66 PLA2G7 (0.44) HSD11B1MAPTTP53HSD17B10KMT2A
SCHEMBL462903 0.66 HSD11B1 (0.45) HSD11B1HPGDNPC1RAB9AMAPT
SCHEMBL461224 0.65 ALDH1A1 (0.43) HSD11B1HPGDNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 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 (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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 HSD11B1 525/4885DPP4 2917/4885DPP8 3691/4885

“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.