SCHEMBL21874151

SCHEMBL21874151

COc1ccc(C2(C#N)CC(F)(F)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL21874058 0.85 ALDH1A1 (0.51) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL21874062 0.84 ALDH1A1 (0.47) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL21874180 0.83 ALDH1A1 (0.46) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL1018321 0.82 ALDH1A1 (0.57) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL14894450 0.80 MEN1 (0.47) ALDH1A1MAPTPOLBCYP3A4CYP2D6
SCHEMBL3444680 0.79 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL1019336 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL19212422 0.78 MAOB (0.39) MAOBMAOAALDH1A1LMNACYP2D6
SCHEMBL21874245 0.77 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL1020841 0.77 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAMAPTPOLB

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-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 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 (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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 MAOB 3697/4885MAOA 4348/4885ALDH1A1 1619/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 MAOB 3697/4885MAOA 4348/4885ALDH1A1 1619/4885

“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.