SCHEMBL14627352

SCHEMBL14627352

O=C(O)/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ENPP2 Q13822 1/20 0.47
PTGER1 P34995 1/20 0.43
TBXA2R P21731 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
NPC1 O15118 1/20 0.42
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL1048274 0.96 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1048275 0.96 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051004 0.92 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1051005 0.92 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1046826 0.92 ENPP2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1046825 0.92 ENPP2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14595167 0.90 MEN1 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049018 0.90 ENPP2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL5317702 0.90 ENPP2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL1049019 0.90 ENPP2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR

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-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR CYP1A2 4551/4885CYP3A4 4009/4885CYP2D6 4125/4885

“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.