SCHEMBL5063288

SCHEMBL5063288

O=C(Cl)c1ccc(OCC(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
ACACB O00763 2/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.36
MCL1 Q07820 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
SCHEMBL2713590 0.88 SMN1; SMN2 (0.47) MGLLABHD6ACACBKMT2ASMN1; SMN2
SCHEMBL2714108 0.86 MAOB (0.47) MGLLABHD6ACACBTHRBTHRA
SCHEMBL2717584 0.84 ACACB (0.43) MGLLABHD6ACACBKMT2ASMN1; SMN2
SCHEMBL27914073 0.84 THRB (0.46) MGLLABHD6ACACBKMT2ASMN1; SMN2
SCHEMBL5064584 0.83 ACACB (0.39) MGLLABHD6ACACBKMT2ASMN1; SMN2
SCHEMBL10951452 0.82 THRB (0.48) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2714937 0.80 THRB (0.41) MGLLABHD6ACACBKMT2AMEN1
SCHEMBL9300275 0.80 ALOX15 (0.42) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5063455 0.79 THRB (0.47) ACACBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL15808942 0.78 ALDH1A1 (0.47) MGLLABHD6KMT2ASMN1; SMN2MEN1

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 MGLL 1123/4885ABHD6 1230/4885ACACB 4480/4885

“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.