SCHEMBL3239379

SCHEMBL3239379

CC(C)N([C]=S)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.38
MIF P14174 2/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL28095408 0.78 ALDH1A1 (0.36) ALDH1A1ESR1HTTMAPTKDM4E
SCHEMBL19565725 0.77 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2TP53NPSR1
SCHEMBL6156404 0.77 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2TP53NPSR1
SCHEMBL3241706 0.77 ESR1 (0.46) ALDH1A1LMNASMN1; SMN2TP53NPSR1
SCHEMBL7941656 0.71 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2TP53ESR1
SCHEMBL3245508 0.69 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPSR1MIF
SCHEMBL3252000 0.69 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2NPSR1MIF
SCHEMBL6399613 0.69 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2TP53NPSR1
SCHEMBL141145 0.67 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TP53NPSR1
SCHEMBL2858411 0.67 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2NPSR1MIF

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 6 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
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN 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-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 874/4885LMNA 1519/4885SMN1; SMN2 3933/4885

“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.