SCHEMBL4274776

SCHEMBL4274776

Cc1ccn(-c2ccc(O)c(F)c2)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
ESRRA P11474 2/20 0.43
COMT P21964 1/20 0.37
MIF P14174 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL2498016 0.78 MCHR1 (0.43) ALDH1A1MAPT
SCHEMBL890168 0.75 F2 (0.52) COMTNPC1ALDH1A1MAPTRAB9A
SCHEMBL12362761 0.74 ESR1 (0.44) ESR1ESR2ESRRAMIFCAPN1
SCHEMBL3989146 0.74 IDH1 (0.44) ESR1ESR2ESRRAMAPT
SCHEMBL3987287 0.74 AKR1B1 (0.51)
SCHEMBL12386351 0.71 ESR1 (0.44) ESR1ESR2ESRRAMIFNPC1
SCHEMBL1753473 0.70 ALDH1A1 (0.41) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18011087 0.70 ALDH1A1 (0.53) COMTNPC1ALDH1A1MAPTRAB9A
SCHEMBL130630 0.70
SCHEMBL2189031 0.70 POLB (0.51) ESR1ESR2ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ESR1 1513/4885ESR2 1468/4885ESRRA 2218/4885

“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.