SCHEMBL4601706

SCHEMBL4601706

O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.72
KDM4E B2RXH2 3/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
PDE10A Q9Y233 2/20 0.68
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ATM Q13315 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ACP1 P24666 1/20 0.62
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL6309512 0.88 DHODH (0.73) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL1896811 0.87 DHODH (0.72) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL6304386 0.85 DHODH (0.74) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL116026 0.84 KDM4E (0.85) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL8616671 0.83 TRPV1 (0.55) DHODHKDM4ENPC1ALDH1A1HPGD
SCHEMBL116029 0.83 DHODH (0.74) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29290339 0.82 DHODH (0.73) DHODHKDM4ELMNASMN1; SMN2NPC1
SCHEMBL1896861 0.82 DHODH (0.68) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29536364 0.82 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL2467110 0.82 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R DHODH 3439/4885KDM4E 2399/4885LMNA 3198/4885

“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.