SCHEMBL4735248

SCHEMBL4735248

O=C(O)c1cc(-c2cccnc2F)cc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.46
NAPRT Q6XQN6 2/20 0.44
PARP1 P09874 2/20 0.42
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
FABP4 P15090 5/20 0.39
FABP3 P05413 1/20 0.39
EIF4EBP1 Q13541 1/20 0.37
RORC P51449 1/20 0.37
CYP2C19 P33261 1/20 0.36
GRIA2 P42262 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
SCHEMBL4786693 0.84 DHODH (0.46) DHODHNAPRTRORC
SCHEMBL4738771 0.83 ACMSD (0.51) DHODHPARP1XDHSLC22A12FABP4
SCHEMBL4733527 0.81 XDH (0.44) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4648140 0.80 GRIA2 (0.40) DHODHPARP1CYP2C19GRIA2
SCHEMBL4734867 0.78 PARP1 (0.55) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4738866 0.78 MCL1 (0.51) DHODHPARP1XDHSLC22A12FABP4
SCHEMBL4739374 0.77 MCL1 (0.59) XDHSLC22A12
SCHEMBL4733776 0.76 PARP1 (0.52) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4733757 0.76 MCL1 (0.53) PARP1XDHSLC22A12FABP4FABP3
SCHEMBL4737359 0.75 PARP1 (0.49) DHODHPARP1XDHSLC22A12FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 DHODH 3192/4885NAPRT 3189/4885PARP1 1061/4885

“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.