SCHEMBL7099136

SCHEMBL7099136

O=C(NC(=S)Nc1ccc(Br)cc1)c1cccnc1Cl

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
EPHX1 P07099 2/20 0.56
EGFR P00533 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48

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
SCHEMBL7095414 0.90 HTT (0.73) HTTEPHX1EGFRALDH1A1MEN1
SCHEMBL7097011 0.88 HTT (0.70) HTTEPHX1ALDH1A1MEN1KMT2A
SCHEMBL7096937 0.87 HTT (0.73) HTTEGFRALDH1A1MEN1KMT2A
SCHEMBL7100225 0.87 HTT (0.70) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14096398 0.84 RAB9A (0.70) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7102679 0.82 HTT (0.62) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14096252 0.79 HTT (0.61) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL11553729 0.76 RAB9A (0.63) HTTEGFRALDH1A1MEN1KMT2A
SCHEMBL2865777 0.76 HTT (0.55) HTTEPHX1ALDH1A1MEN1KMT2A
SCHEMBL3905888 0.75 MEN1 (0.72) HTTEGFRALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 HTT 3396/4885EPHX1 2324/4885EGFR 4435/4885

“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.