Sugi Predict

Sugi Predict / Compounds / SCHEMBL1096281

SCHEMBL1096281

SCHEMBL1096281

Fc1ccc(Br)cc1N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ KDM1A O60341 2/20 0.34
▸ KDM1B Q8NB78 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1095141 0.84 NAAA (0.39) NAAAKDM1AKDM1BABCB11ALDH1A1
SCHEMBL6153417 0.79 HSP90AA1 (0.37) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL30940601 0.79 CA3 (0.38) KDM1AKDM1BABCB11ALDH1A1NR3C1
SCHEMBL1457805 0.79 CA3 (0.38) KDM1AKDM1BABCB11ALDH1A1NR3C1
SCHEMBL1021879 0.78 HTR2B (0.34) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL11413817 0.78 P2RY6 (0.42) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL15221620 0.76 ALDH1A1 (0.33) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL188261 0.75 ALOX15 (0.38) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL10719969 0.73 APLNR (0.41) NAAAALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL29717723 0.73 MIF (0.40) NAAAABCB11ALDH1A1NR3C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 — — US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 — — US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 — — US disclosed
CN-101951904-A Benzothiazole and benzoxazole derivatives and methods of use ABBOTT LAB 2011-01-19 — — CN disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 — — EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 — — WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 — — US 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 (2 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-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 NAAA 1186/4885KDM1A 1198/4885KDM1B 2138/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 NAAA 1186/4885KDM1A 1198/4885KDM1B 2138/4885

“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.