SCHEMBL1367893

SCHEMBL1367893

O=C(c1cc2cc(F)cc(F)c2[nH]c1=O)c1cc2cc(F)cc(F)c2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
DAO P14920 3/20 0.41
DDO Q99489 1/20 0.40
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ERN1 O75460 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CNR2 P34972 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1367535 0.79 DAO (0.66) HRH4DAODDO
SCHEMBL26617488 0.79 ALDH1A1 (0.56) ALDH1A1LMNACNR2
SCHEMBL3420670 0.78 DAO (0.64) HRH4DAODDO
SCHEMBL12970080 0.74 BRD4 (0.43) HRH4DAODDOALDH1A1LMNA
SCHEMBL1368448 0.74 DAO (0.65) HRH4DAODDOALDH1A1LMNA
SCHEMBL22985983 0.71 MPL (0.39) DAODDOALDH1A1CNR2
SCHEMBL2576853 0.70 HPGD (0.56) HRH4DAOALDH1A1LMNA
SCHEMBL1366485 0.70 GPR35 (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1368975 0.70 HSD17B10 (0.49) HRH4DAOALDH1A1GRIN2DGRIN3B
SCHEMBL4787473 0.69 HRH4 (0.54) HRH4DAOALDH1A1LMNAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS HRH4 2570/4885DAO 3402/4885DDO 3116/4885

“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.