SCHEMBL434946

SCHEMBL434946

Cc1ccc2c(c1)C(C)CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.53
CREBBP Q92793 4/20 0.53
EPHX2 P34913 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
THRB P10828 1/20 0.43
MMP12 P39900 1/20 0.42
TP53 P04637 1/20 0.41
IDO1 P14902 2/20 0.41
ACHE P22303 1/20 0.41
EP300 Q09472 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL15918985 0.86 CREBBP (0.56) BRD4CREBBPEPHX2SIRT1THRB
SCHEMBL24170891 0.83 BRD4 (0.50) BRD4CREBBPEPHX2SIRT1MAPT
SCHEMBL30293265 0.81 BRD4 (0.57) BRD4CREBBPTP53EP300
SCHEMBL7264599 0.81 KMT2A (0.45) BRD4MAPTMEN1KMT2ATP53
SCHEMBL17479629 0.81 CA9 (0.44) BRD4CREBBPEP300CA1CA2
SCHEMBL12062505 0.80 ACHE (0.58) BRD4CREBBPEPHX2SIRT1MAPT
SCHEMBL19805494 0.79 BRD4 (0.46) BRD4CREBBPEPHX2SIRT1MAPT
SCHEMBL10285196 0.79 MAOA (0.55) BRD4CREBBPMEN1KMT2ATP53
SCHEMBL21374146 0.79 BRD4 (0.44) BRD4CREBBPMEN1KMT2ATP53
SCHEMBL30293231 0.79 MAOA (0.55) BRD4CREBBPMEN1KMT2ATP53

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
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (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-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C BRD4 47/4885CREBBP 69/4885EPHX2 2548/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH BRD4 700/4885CREBBP 536/4885EPHX2 670/4885

“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.