SCHEMBL3250894

SCHEMBL3250894

CCCCCCCCCCN[C]=S

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
NAAA Q02083 1/20 0.41
PPARA Q07869 2/20 0.38
GBA1 P04062 3/20 0.37
CASP2 P42575 1/20 0.37

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
SCHEMBL11104427 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL6006564 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9206362 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL293425 1.00
SCHEMBL11099145 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL293422 0.97
SCHEMBL270589 0.89
SCHEMBL270032 0.77
SCHEMBL148471 0.74 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9661841 0.74 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C

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 12 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
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US 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
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 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 (2 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 EPHX1 3756/4885TSHR 2306/4885ALDH1A1 874/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 EPHX1 3176/4885TSHR 2490/4885ALDH1A1 228/4885

“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.