SCHEMBL463581

SCHEMBL463581

COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(C(F)(F)F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
MAT2A P31153 1/20 0.41
NPBWR1 P48145 1/20 0.40
CSNK1D P48730 1/20 0.39
ACP1 P24666 1/20 0.39
RORC P51449 1/20 0.39
PTGER4 P35408 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL13724640 0.88 MAT2A (0.45) MAPTMAT2A
SCHEMBL13724042 0.86 MAPT (0.44) MAPTMAT2A
SCHEMBL404911 0.86 MAT2A (0.50) MAT2A
SCHEMBL404931 0.85 POLB (0.44) MAPTMAT2A
SCHEMBL13724429 0.84 APP (0.44) MAPTMAT2A
SCHEMBL13723811 0.84 MAT2A (0.42) MAPTMAT2A
SCHEMBL14324154 0.84 MAT2A (0.42) MAPTMAT2A
SCHEMBL462516 0.83 HRH4 (0.43) MAPT
SCHEMBL15650941 0.82 MAT2A (0.41) MAPTMAT2A
SCHEMBL13724265 0.81 MAT2A (0.43) MAPTMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885HSP90AA1 2752/4885HSP90AB1 2463/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885HSP90AA1 2752/4885HSP90AB1 2463/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885HSP90AA1 2752/4885HSP90AB1 2463/4885

“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.