SCHEMBL1614766

SCHEMBL1614766

CCCCOc1ccc2nc(CCc3ccc(OCc4ccc(Cl)cc4)cc3)n(CCCC)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 4/20 0.52
MAPT P10636 4/20 0.52
MCHR1 Q99705 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
BRD4 O60885 2/20 0.44
CREBBP Q92793 2/20 0.44
NPY1R P25929 2/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.41

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
SCHEMBL1283385 0.93 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTMCHR1CYP1A2
SCHEMBL1615303 0.90 MCHR1 (0.52) SMN1; SMN2TP53MAPTMCHR1BRD4
SCHEMBL1283017 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTCYP1A2CYP3A4
SCHEMBL1615069 0.85 MAPT (0.50) SMN1; SMN2TP53MAPTHTTPOLB
SCHEMBL1614104 0.85 SMN1; SMN2 (0.53) SMN1; SMN2TP53MAPTHTTNPSR1
SCHEMBL1615081 0.85 TP53 (0.47) SMN1; SMN2TP53MAPTMCHR1BRD4
SCHEMBL1282611 0.84 DRD2 (0.48) SMN1; SMN2MAPTMCHR1HPGD
SCHEMBL1614727 0.84 MAPT (0.54) SMN1; SMN2TP53MAPTNPSR1POLB
SCHEMBL14421341 0.84 DRD2 (0.44) SMN1; SMN2TP53MAPTMCHR1CYP1A2
SCHEMBL10282580 0.84 MCHR1 (0.47) TP53MAPTMCHR1BRD4CREBBP

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 SMN1; SMN2 3253/4885TP53 238/4885MAPT 430/4885

“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.