SCHEMBL5437117

SCHEMBL5437117

Cc1cc(Cl)ccc1COC(=O)c1nn(Cc2ccc(Cl)cc2C)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ELANE P08246 13/20 0.50
MCL1 Q07820 1/20 0.44
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
PTGER4 P35408 2/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL1603908 0.93 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
Tolnidamine SCHEMBL1604178 0.85 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL3408437 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL30491087 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14595157 0.83 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14584215 0.81 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL12787802 0.80 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14584198 0.80 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL998543 0.79 CYP1A2 (0.75) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL29459648 0.79 CYP1A2 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP1A2 4551/4885CYP3A4 4009/4885CYP2D6 4125/4885
US-20070043057-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.