SCHEMBL5431995

SCHEMBL5431995

O=C(O)c1nc(Cc2ccc(Cl)cc2Cl)n2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
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
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
COPS5 Q92905 1/20 0.42
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
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14584119 0.88 CYP1A2 (0.40) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14584225 0.81 SMN1; SMN2 (0.45) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14584125 0.80 RORC (0.43) CSNK2A2CSNK2BCSNK2A1PTGDR2FNTA
SCHEMBL5444294 0.80 NPSR1 (0.47) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14584220 0.80 ALDH1A1 (0.57) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31282458 0.78 ALDH1A1 (0.45) TSHRHIF1ASMN1; SMN2LMNAPTGDR2
SCHEMBL4498121 0.74 MAPT (0.63) CYP1A2CYP2C9CSNK2A2CSNK2BCSNK2A1
SCHEMBL19779761 0.73 KLKB1 (0.43) CSNK2A2CSNK2BCSNK2A1
SCHEMBL5433065 0.73 LMNA (0.41) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5433063 0.72 TBXA2R (0.54) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO claimed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
WO-2006015263-A2 LONIDAMINE ANALOGS THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-09 WO 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 (2 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 NPSR1 2622/4885CYP1A2 4551/4885CYP3A4 4009/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR NPSR1 2622/4885CYP1A2 4551/4885CYP3A4 4009/4885

“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.