SCHEMBL4730108

SCHEMBL4730108

O=C(Cc1ccccc1Nc1ccnc2cc(Cl)ccc12)OCC(O)CO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.73
CYP3A4 P08684 2/20 0.73
MAPK1 P28482 2/20 0.73
HSD17B10 Q99714 2/20 0.73
CYP2D6 P10635 2/20 0.73
KDM4E B2RXH2 2/20 0.73
CYP2C9 P11712 2/20 0.73
ALDH1A1 P00352 2/20 0.73
HPGD P15428 2/20 0.73
MLNR O43193 1/20 0.73
ABCB11 O95342 1/20 0.73
CHRM2 P08172 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
GABRA1 P14867 1/20 0.73
TBXA2R P21731 1/20 0.73
PTGS1 P23219 1/20 0.73
SLC6A2 P23975 1/20 0.73
PDE4A P27815 1/20 0.73
ADORA2A P29274 1/20 0.73

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
SCHEMBL4729232 0.85 POLB (0.63) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
Glafenine SCHEMBL29438081 0.85 CYP1A2 (1.00) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
Glafenine SCHEMBL24246 0.85 CYP1A2 (1.00) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
SCHEMBL4734517 0.84 POLB (0.60) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
Glafenine SCHEMBL970807 0.84 CYP1A2 (0.98) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
SCHEMBL4732484 0.82 POLB (0.56) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL4732480 0.81 POLB (0.55) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
SCHEMBL4729504 0.81 CXCL8 (0.62) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL4733095 0.80 CYP2C9 (0.60) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6
SCHEMBL4748775 0.78 POLB (0.62) CYP1A2CYP3A4MAPK1HSD17B10CYP2D6

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 CYP1A2 236/4885CYP3A4 257/4885MAPK1 2723/4885

“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.