SCHEMBL1094972

SCHEMBL1094972

Sc1sc(S)c2cnccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
KDM4E B2RXH2 4/20 0.33
ACHE P22303 4/20 0.33
CHUK O15111 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
NCOA1 Q15788 2/20 0.33
NCOA3 Q9Y6Q9 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GABRP O00591 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
SCHEMBL16768561 0.68 AXL (0.42) AXLEP300KAT2BKAT8KDM4E
SCHEMBL11885002 0.67 KDM4E (0.44) AXLEP300KAT2BKAT8KDM4E
SCHEMBL11884982 0.67 CYP2A6 (0.42) AXLEP300KAT2BKAT8ACHE
SCHEMBL16433152 0.67 EP300 (0.45) AXLEP300KAT2BKAT8KDM4E
SCHEMBL1652259 0.67 AXL (0.45) AXLEP300KAT2BKAT8KDM4E
SCHEMBL11150652 0.67 IMPDH2 (0.39) AXLEP300KAT2BKAT8KDM4E
SCHEMBL11884987 0.65 KDM4E (0.40) AXLEP300KAT2BKAT8KDM4E
SCHEMBL17298998 0.64 PARP1 (0.55) AXLKDM4EACHECHUKALDH1A1
SCHEMBL15374747 0.64 PARP1 (0.55) AXLKDM4EACHECHUKALDH1A1
SCHEMBL21297740 0.64 KDM4E (0.47) AXLEP300KAT2BKAT8KDM4E

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
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
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 AXL 1224/4885EP300 628/4885KAT2B 2022/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 AXL 1224/4885EP300 628/4885KAT2B 2022/4885

“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.