SCHEMBL316133

SCHEMBL316133

COc1ccc(-c2nnc3n2-c2ccc(Cl)cc2NC[C@@H]3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
ALDH1A1 P00352 2/20 0.42
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 7/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
OXTR P30559 1/20 0.36
TP53 P04637 1/20 0.35
BRD2 P25440 1/20 0.35
GAA P10253 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
SCHEMBL316132 1.00 GLA (0.45) GLAALDH1A1GABRA2GABRB2CNR1
SCHEMBL316131 1.00 GLA (0.45) GLAALDH1A1GABRA2GABRB2CNR1
SCHEMBL316358 0.91 BRD4 (0.41) GLAKMT2ABRD4BRD2
SCHEMBL316359 0.91 BRD4 (0.41) GLAKMT2ABRD4BRD2
SCHEMBL316360 0.91 BRD4 (0.41) GLAKMT2ABRD4BRD2
SCHEMBL1812814 0.89 BRD4 (0.37) GABRA2GABRB2CNR1KMT2ABRD4
SCHEMBL1812813 0.89 BRD4 (0.37) GABRA2GABRB2CNR1KMT2ABRD4
SCHEMBL1812815 0.89 BRD4 (0.37) GABRA2GABRB2CNR1KMT2ABRD4
SCHEMBL314087 0.89 ALDH1A1 (0.45) GLAALDH1A1CNR1MEN1KMT2A
SCHEMBL314088 0.89 ALDH1A1 (0.45) GLAALDH1A1CNR1MEN1KMT2A

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-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 GLA 2690/4885ALDH1A1 2295/4885GABRA2 951/4885

“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.