SCHEMBL4187450

SCHEMBL4187450

CCCCCCCCc1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
RARB P10826 5/20 0.63
MAPT P10636 3/20 0.63
ALDH1A1 P00352 1/20 0.63
RARA P10276 1/20 0.63
MTOR P42345 1/20 0.63
NAAA Q02083 1/20 0.61
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL4197091 0.90 TRPV1 (0.66) NPC1RAB9AMEN1KMT2ARARB
SCHEMBL28562555 0.86 THRA (0.64) MEN1KMT2ARARBMAPTALDH1A1
SCHEMBL7740315 0.86 S1PR1 (0.62) MEN1KMT2ARARBMAPTALDH1A1
SCHEMBL13779195 0.85 GAA (0.56) NPC1RAB9AMEN1KMT2ARARB
SCHEMBL9491031 0.84 L3MBTL1 (0.71) MEN1KMT2ARARBMAPTALDH1A1
SCHEMBL13073425 0.84 HDAC2 (0.76) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10533855 0.84 HPGD (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL25399784 0.83 L3MBTL1 (0.61) MEN1KMT2ARARBMAPTALDH1A1
SCHEMBL11074314 0.83 RAB9A (0.65) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL25399434 0.82 L3MBTL1 (0.64) NPC1RAB9AMEN1KMT2ARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG NPC1 2779/4885RAB9A 103/4885MEN1 4845/4885

“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.