SCHEMBL1703930

SCHEMBL1703930

CC(F)(F)c1csc(Cn2ncc([N+](=O)[O-])n2)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1703742 0.79 TP53 (0.31)
SCHEMBL1704162 0.79 FPR2 (0.46) ALDH1A1
SCHEMBL1167091 0.79 KMT2A (0.40) MEN1KMT2APKMALDH1A1
SCHEMBL27917153 0.78 TXNRD1 (0.33)
SCHEMBL1703731 0.77 MAPT (0.38) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL9900188 0.76 MAPT (0.31) MAPTALDH1A1
SCHEMBL3717210 0.76 PTGER1 (0.33) KMT2A
SCHEMBL27870396 0.75 LMNA (0.32) ALDH1A1
SCHEMBL27853597 0.75 RAB9A (0.35) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL9900065 0.74 RAB9A (0.38) MEN1KMT2AMAPTALDH1A1

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-2440555-B1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-05-18 EP disclosed
CN-102414207-B Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-30 CN disclosed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO 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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 MEN1 854/4885KMT2A 187/4885MAPT 700/4885

“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.