SCHEMBL3250307

SCHEMBL3250307

CC(=O)ON([C]=S)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSPO P30536 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 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
SCHEMBL3244918 0.85 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL10626127 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL5821323 0.77 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL432494 0.75 NPC1 (0.52) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL3245208 0.74 TSPO (0.46) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL3250311 0.73 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL3244922 0.71 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL3245007 0.70 NPSR1 (0.38) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL3187525 0.68 KMT2A (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL27770369 0.68 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ACA12CA9

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 874/4885NPC1 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.