SCHEMBL1615069

SCHEMBL1615069

CCCCOc1ccc2nc(CCc3ccc(OCCCc4ccc(OC)cc4)cc3)n(CCCC)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TP53 P04637 6/20 0.47
LMNA P02545 2/20 0.47
BRD4 O60885 3/20 0.45
CREBBP Q92793 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.42
CACNA1F O60840 1/20 0.42
ADRA1A P35348 1/20 0.42
CACNA1D Q01668 1/20 0.42
EP300 Q09472 1/20 0.42
CACNA1S Q13698 1/20 0.42

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
SCHEMBL1283407 0.92 DRD3 (0.46) MAPTTP53LMNABRD4CREBBP
SCHEMBL1284146 0.90 DRD2 (0.45) MAPTTP53LMNABRD4CREBBP
SCHEMBL1614049 0.89 DRD3 (0.46) MAPTTP53LMNABRD4CREBBP
SCHEMBL1614727 0.88 MAPT (0.54) MAPTTP53LMNABRD4CREBBP
SCHEMBL1614104 0.87 SMN1; SMN2 (0.53) MAPTTP53LMNABRD4CREBBP
SCHEMBL1615081 0.87 TP53 (0.47) MAPTTP53BRD4CREBBPSMN1; SMN2
SCHEMBL1282934 0.86 DRD3 (0.45) MAPTTP53LMNACNR1CNR2
SCHEMBL1615303 0.85 MCHR1 (0.52) MAPTTP53BRD4CREBBPSMN1; SMN2
SCHEMBL1614766 0.85 SMN1; SMN2 (0.52) MAPTTP53BRD4CREBBPSMN1; SMN2
SCHEMBL1282449 0.81 DRD3 (0.50) MAPTTP53LMNABRD4CREBBP

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 238/4885LMNA 943/4885

“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.