SCHEMBL4732484

SCHEMBL4732484

CCCCOC(=O)Cc1ccccc1Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
CYP1A2 P05177 6/20 0.52
CYP2D6 P10635 6/20 0.52
KCNH2 Q12809 5/20 0.52
CYP2C19 P33261 5/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 4/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ABCB11 O95342 2/20 0.52
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
SLC6A2 P23975 2/20 0.52
PTGS2 P35354 2/20 0.52
OPRM1 P35372 2/20 0.52
MLNR O43193 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
Hydrochloric Acid SCHEMBL4732480 0.99 POLB (0.55) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL4729232 0.90 POLB (0.63) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL4734517 0.87 POLB (0.60) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL4730108 0.82 CYP1A2 (0.73) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL4729504 0.81 CXCL8 (0.62) POLBTHRBCYP1A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4733095 0.80 CYP2C9 (0.60) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL4748775 0.77 POLB (0.62) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL21346888 0.76 KDM4E (0.73) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL11522711 0.76 HSD17B10 (0.67) POLBTHRBCYP1A2CYP2D6KCNH2
SCHEMBL13109329 0.74 TTR (0.68) CYP3A4CYP2C9MAPK1ABCB11PTGS2

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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS, INC. (CA) 2008-06-12 US disclosed
WO-2008048577-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS INC. (CA) 2008-04-24 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 (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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS PTGES2, NFKBIA, PTGES POLB 2390/4885THRB 4430/4885CYP1A2 236/4885

“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.