SCHEMBL6765228

SCHEMBL6765228

Cc1ccc(C)c(COC(=O)Nc2ccc(N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
NLRP3 Q96P20 1/20 0.46
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL854996 0.76 RAB9A (0.61) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL6574038 0.73 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTTDP1
SCHEMBL1466758 0.73 KDM4E (0.54) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL6210144 0.72 KMT2A (0.51) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL16329499 0.71 MEN1 (0.53) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL1707562 0.71 POLB (0.68) SMN1; SMN2NPC1RAB9AMAPTRECQL
SCHEMBL3968418 0.70 TAAR1 (0.50) SMN1; SMN2RAB9AMAPTGAATDP1
SCHEMBL2070195 0.70 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL6657262 0.70 L3MBTL1 (0.55) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL27807653 0.70 KDM4E (0.43) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 SMN1; SMN2 2628/4885NPC1 1387/4885RAB9A 1413/4885

“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.