SCHEMBL3244144

SCHEMBL3244144

S=[C]Nc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
HSD17B10 Q99714 2/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL543372 0.78 FABP3 (0.47) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL9310587 0.78 FABP3 (0.43) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL9613866 0.78 L3MBTL1 (0.35) ALDH1A1HPGDHSD17B10MAPTL3MBTL1
SCHEMBL30149120 0.75 FABP3 (0.47) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL29574036 0.74 FABP3 (0.67) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL2437912 0.74 FABP3 (0.67) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL4233550 0.72 FABP3 (0.42) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL15605284 0.72 FABP3 (0.64) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL11252190 0.71 SMN1; SMN2 (0.45) SMN1; SMN2FABP3FABP4FABP5ALDH1A1
SCHEMBL24205927 0.70 FABP3 (0.47) SMN1; SMN2FABP3FABP4FABP5ALDH1A1

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 SMN1; SMN2 3933/4885FABP3 1349/4885FABP4 1391/4885

“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.