SCHEMBL4908284

SCHEMBL4908284

O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2)nn1)c1ccc(Br)s1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.62
MIF P14174 3/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCB11 O95342 1/20 0.49
F2 P00734 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL1097501 0.89 F10 (0.62) F10MIFCYP3A4CYP2C9ABCB11
SCHEMBL4911973 0.88 F10 (0.55) F10MIFCYP1A2CYP3A4CYP2D6
SCHEMBL1096808 0.81 F10 (0.53) F10MIFABCB11F2ST14
SCHEMBL1098231 0.80 F10 (0.54) F10MIFCYP3A4CYP2C9ABCB11
SCHEMBL1096902 0.78 F10 (0.63) F10CYP3A4CYP2C9ABCB11F2
SCHEMBL8243711 0.78 F10 (0.41) F10MIFCYP1A2CYP3A4CYP2D6
SCHEMBL78508 0.77 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19126463 0.76 F10 (0.44) F10L3MBTL1PTGS2
SCHEMBL19144958 0.75 F10 (0.43) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1095716 0.74 F10 (0.56) F10MIFF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 F10 2414/4885MIF 3572/4885CYP1A2 17/4885

“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.