SCHEMBL316510

SCHEMBL316510

COc1ccc2c(c1)NCC(C)c1nnc(-c3ccc(C)c(Cl)c3)n1-2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 4/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
GLA P06280 1/20 0.34
BRD4 O60885 11/20 0.34
SRC P12931 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
BRD2 P25440 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL316511 1.00 MAPK10 (0.39) MAPK10ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL316512 1.00 MAPK10 (0.39) MAPK10ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL314135 0.87 ALDH1A1 (0.40) ALDH1A1GLABRD4HCRTR1HCRTR2
SCHEMBL314534 0.87 ALDH1A1 (0.40) ALDH1A1GLABRD4HCRTR1HCRTR2
SCHEMBL314136 0.87 ALDH1A1 (0.40) ALDH1A1GLABRD4HCRTR1HCRTR2
SCHEMBL313881 0.86 ALDH1A1 (0.40) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL313880 0.86 ALDH1A1 (0.40) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL313882 0.86 ALDH1A1 (0.40) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL315205 0.86 HTT (0.37) MAPK10MAPTKMT2A
SCHEMBL315204 0.86 HTT (0.37) MAPK10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
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
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
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
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
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 MAPK10 1454/4885ALDH1A1 2295/4885HTR3E 1782/4885

“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.