SCHEMBL3236378

SCHEMBL3236378

O=C(c1[c]cccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
APP P05067 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
PLOD2 O00469 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAP2K1 Q02750 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL218652 0.80 ALDH1A1 (0.54) ALDH1A1GAAKMT2ALMNATDP1
Water SCHEMBL29275067 0.78 ALDH1A1 (0.52) ALDH1A1GAAKMT2ALMNATDP1
SCHEMBL29915528 0.78 ALDH1A1 (0.71) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL1242243 0.78 ALDH1A1 (0.71) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL125431 0.76 ALDH1A1 (0.69) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL30706508 0.76 ALDH1A1 (0.69) ALDH1A1GAAAPPHCAR3HCAR2
Hydrochloric Acid SCHEMBL27841975 0.76 ALDH1A1 (0.68) ALDH1A1GAAAPPHCAR3HCAR2
SCHEMBL143892 0.75 ALDH1A1 (0.38) ALDH1A1KMT2ATDP1MEN1CYP1A2
Bicarbonate SCHEMBL29556909 0.74 ALDH1A1 (0.67) ALDH1A1GAAAPPHCAR3HCAR2
Hydrochloric Acid SCHEMBL27691744 0.74 ALDH1A1 (0.67) ALDH1A1GAAAPPHCAR3HCAR2

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 ALDH1A1 874/4885GAA 3055/4885APP 3713/4885

“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.