SCHEMBL3241728

SCHEMBL3241728

O=C(c1[c]c2ccccc2cc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.48
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
MEN1 O00255 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44

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
SCHEMBL1127740 0.82 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL1242243 0.73 ALDH1A1 (0.71) MAP2K1ALDH1A1KMT2AAPPGAA
SCHEMBL29915528 0.73 ALDH1A1 (0.71) MAP2K1ALDH1A1KMT2AAPPGAA
SCHEMBL1181527 0.72 PARP1 (0.41) ALDH1A1GAASIRT2SIRT1SIRT3
SCHEMBL3236378 0.72 ALDH1A1 (0.50) MAP2K1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL125431 0.71 ALDH1A1 (0.69) MAP2K1ALDH1A1KMT2AAPPGAA
SCHEMBL30706508 0.71 ALDH1A1 (0.69) MAP2K1ALDH1A1KMT2AAPPGAA
Hydrochloric Acid SCHEMBL27841975 0.71 ALDH1A1 (0.68) MAP2K1ALDH1A1KMT2AAPPGAA
Bicarbonate SCHEMBL29556909 0.70 ALDH1A1 (0.67) MAP2K1ALDH1A1KMT2AAPPGAA
Hydrochloric Acid SCHEMBL27691744 0.70 ALDH1A1 (0.67) MAP2K1ALDH1A1KMT2AAPPGAA

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 MAP2K1 2885/4885ALDH1A1 874/4885NPC1 359/4885

“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.