SCHEMBL3987287

SCHEMBL3987287

O=C(c1ccccc1)c1ccn(-c2ccc(O)c(F)c2)c(=O)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.51
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ACHE P22303 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9428615 0.77 ACHE (0.66) HSD17B1HSD17B2ACHECNR1CNR2
SCHEMBL3989146 0.76 IDH1 (0.44) ACHE
SCHEMBL4274776 0.74 ESR1 (0.44)
SCHEMBL27661242 0.68 HSD17B1 (0.59) HSD17B1HSD17B2ACHE
SCHEMBL29748711 0.68 HSD17B1 (0.59) HSD17B1HSD17B2ACHE
SCHEMBL3581132 0.68 SMN1; SMN2 (0.56) TDP1L3MBTL1
SCHEMBL3468841 0.68 KDM4E (0.68) HSD17B1HSD17B2ACHEL3MBTL1
SCHEMBL10258501 0.67 L3MBTL1 (0.45) TDP1L3MBTL1
SCHEMBL142204 0.65 L3MBTL1 (0.64) CNR1CNR2ATMTDP1L3MBTL1
SCHEMBL31257839 0.65 L3MBTL1 (0.64) CNR1CNR2ATMTDP1L3MBTL1

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 AKR1B1 387/4885HSD17B1 506/4885HSD17B2 704/4885

“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.