SCHEMBL347355

SCHEMBL347355

S=C=Nc1cccc(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 6/20 0.48
▸ P2RY6 Q15077 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TRPA1 O75762 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PRCP P42785 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ OPRD1 P41143 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NOS1 P29475 2/20 0.34

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
SCHEMBL28780514 0.85 MIF (0.50) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL15820886 0.81 ALDH1A1 (0.46) ALDH1A1TRPA1TSHRCYP1A2NOS1
SCHEMBL15820887 0.81 ALDH1A1 (0.46) ALDH1A1TRPA1TSHRCYP1A2NOS1
SCHEMBL3542545 0.81 NOS1 (0.49) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL27300646 0.81 NOS1 (0.53) MIFP2RY6NOS1PNMTNOS2
SCHEMBL1435119 0.81 GABRA1 (0.48) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL3599465 0.80 NOS1 (0.57) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL30574422 0.79 MIF (0.57) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL483888 0.79 MIF (0.67) MIFP2RY6ALDH1A1CYP3A4MEN1
SCHEMBL19129734 0.78 GRIN2D (0.47) MIFP2RY6ALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111254518-A Nano antibacterial flame-retardant fabric 邓生平 2020-06-09 — — CN claimed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 — — EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 — — US disclosed
CN-102293773-A Drug with benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORP 2011-12-28 — — CN disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 — — EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 — — US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 — — US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 — — US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 — — US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 — — EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 — — CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 — — 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 (3 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 MIF 3027/4885P2RY6 2267/4885ALDH1A1 2165/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 MIF 4473/4885P2RY6 4340/4885ALDH1A1 1261/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 MIF 4348/4885P2RY6 4553/4885ALDH1A1 680/4885

“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.

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