SCHEMBL3247737

SCHEMBL3247737

O=[N+]([O-])N([C]=S)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
NR1D1 P20393 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL3240015 0.83 CRHBP (0.42) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL8781469 0.78 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL9265192 0.74 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL27790188 0.71 MAOB (0.51) CRHBPCRHR2CYP1A2CYP2D6ALDH1A1
SCHEMBL9404109 0.71 ALDH1A1 (0.52) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL6129082 0.71 CRHBP (0.49) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL2325614 0.71 AOC3 (0.48) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL11745244 0.71 CRHBP (0.50) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL3247740 0.70 CRHBP (0.41) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL21219506 0.69 CRHBP (0.47) CRHBPCRHR2CYP1A2CYP2C19CYP2D6

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 CRHBP 4537/4885CRHR2 2730/4885CYP1A2 1561/4885

“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.