SCHEMBL1614727

SCHEMBL1614727

CCCCOc1ccc2nc(CCc3ccc(OCCCCc4ccc(C)cc4)cc3)n(CCCC)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TP53 P04637 4/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
PKM P14618 1/20 0.49
BRD4 O60885 3/20 0.47
CREBBP Q92793 3/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
CACNA1F O60840 1/20 0.43
ADRA1A P35348 1/20 0.43
CACNA1D Q01668 1/20 0.43
EP300 Q09472 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL1615069 0.88 MAPT (0.50) MAPTTP53GAASMN1; SMN2RAB9A
SCHEMBL1614104 0.86 SMN1; SMN2 (0.53) MAPTTP53GAASMN1; SMN2RAB9A
SCHEMBL1615081 0.86 TP53 (0.47) MAPTTP53GAASMN1; SMN2RAB9A
SCHEMBL1284146 0.85 DRD2 (0.45) MAPTTP53BRD4CREBBPLMNA
SCHEMBL1615303 0.84 MCHR1 (0.52) MAPTTP53GAASMN1; SMN2RAB9A
SCHEMBL1614766 0.84 SMN1; SMN2 (0.52) MAPTTP53SMN1; SMN2BRD4CREBBP
SCHEMBL1283407 0.82 DRD3 (0.46) MAPTTP53BRD4CREBBPLMNA
SCHEMBL1614049 0.80 DRD3 (0.46) MAPTTP53BRD4CREBBPLMNA
SCHEMBL1283644 0.80 DRD2 (0.46) TP53SMN1; SMN2BRD4CREBBPHPGD
SCHEMBL1282449 0.80 DRD3 (0.50) MAPTTP53GAASMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B MAPT 430/4885TP53 238/4885GAA 1346/4885

“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.