SCHEMBL5936596

SCHEMBL5936596

O=C(Nc1[c]c(F)ccc1)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
NR1H4 Q96RI1 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
LMNA P02545 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.51
SPHK2 Q9NRA0 3/20 0.50
FFAR1 O14842 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
NR4A2 P43354 1/20 0.49
SMPD1 P17405 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL1122980 0.88 NR1H4 (0.56) NPC1RAB9ASMN1; SMN2CASP3TAAR1
SCHEMBL5936598 0.87 NR1H4 (0.55) NPC1RAB9ASMN1; SMN2CASP3TAAR1
SCHEMBL5720726 0.82 RAB9A (0.60) NPC1RAB9ASMN1; SMN2CASP3TAAR1
SCHEMBL1123450 0.79 SMPD1 (0.59) NPC1RAB9ASMN1; SMN2NR1H4MEN1
SCHEMBL5936634 0.76 SMPD1 (0.62) RAB9ASMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL1123461 0.76 NR4A2 (0.81) RAB9ASMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL5936672 0.76 SMPD1 (0.60) NPC1RAB9ASMN1; SMN2NR1H4MEN1
SCHEMBL1122731 0.74 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22192264 0.73 RAB9A (0.94) NPC1RAB9ASMN1; SMN2CASP3TAAR1
SCHEMBL11550139 0.72 NR1H4 (0.81) NPC1RAB9ASMN1; SMN2NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG NPC1 3147/4885RAB9A 4567/4885SMN1; SMN2 3984/4885

“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.