SCHEMBL6015780

SCHEMBL6015780

CC(=O)NCc1ccc2[nH]cc(C=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2A6 P11509 1/20 0.46
IMPDH2 P12268 1/20 0.46
ASH1L Q9NR48 1/20 0.45
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
BLM P54132 3/20 0.43
NOTUM Q6P988 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
HPGD P15428 2/20 0.43
IDO1 P14902 1/20 0.43
SPR P35270 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL16756044 0.83 MAPT (0.48) ALDH1A1CYP1A2MAPTCYP2C19CYP2A6
SCHEMBL7309471 0.82 KDM4E (0.56) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL20424739 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL10757934 0.78 ALDH1A1 (0.49) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL5403384 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL13592398 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL17871978 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL15902130 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL10745999 0.76 HTR1A (0.63) ALDH1A1CYP1A2KDM4EMAPTCYP2C19
SCHEMBL18311437 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2KDM4ECYP2C19CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 ALDH1A1 1194/4885CYP1A2 2776/4885KDM4E 540/4885

“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.