SCHEMBL3250775

SCHEMBL3250775

CC(=O)N([C]=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL7405544 0.86 NPC1 (0.47) NPC1RAB9ACA12CA9LMNA
SCHEMBL6927610 0.83 ALDH1A1 (0.52) TSPONPC1RAB9ACA12CA9
SCHEMBL3245208 0.83 TSPO (0.46) TSPONPC1RAB9ACA12CA9
SCHEMBL3972118 0.83 ALDH1A1 (0.42) TSPONPC1RAB9ACA12CA9
SCHEMBL27538080 0.81 NPC1 (0.43) NPC1RAB9ACA12CA9LMNA
SCHEMBL3665741 0.80 NPC1 (0.47) NPC1RAB9ACA12CA9LMNA
SCHEMBL27415475 0.78 AOC3 (0.45) NPC1RAB9ACA12CA9LMNA
SCHEMBL2265986 0.77 NPC1 (0.47) TSPONPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL11682498 0.76 LMNA (0.53) TSPONPC1RAB9ACA12CA9
SCHEMBL2526727 0.75 LMNA (0.57) TSPONPC1RAB9ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TSPO 4296/4885NPC1 359/4885RAB9A 1488/4885

“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.