SCHEMBL4619699

SCHEMBL4619699

COc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.66
BRPF1 P55201 2/20 0.66
GRM2 Q14416 1/20 0.64
POLB P06746 1/20 0.62
MAPT P10636 4/20 0.57
PKM P14618 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TRIM24 O15164 2/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.56
TP53 P04637 2/20 0.54
S100B P04271 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30293254 1.00 BRD4 (0.66) BRD4BRPF1GRM2POLBMAPT
SCHEMBL16519549 0.77 BRPF1 (0.57) BRD4BRPF1GRM2POLBMAPT
SCHEMBL1856481 0.76 GRM2 (0.69) BRD4BRPF1GRM2POLBMAPT
SCHEMBL4614466 0.76 CA2 (0.46) BRD4BRPF1GRM2POLBMAPT
SCHEMBL13354924 0.76 BRD4 (0.51) BRD4BRPF1GRM2POLBMAPT
SCHEMBL18288081 0.74 L3MBTL1 (0.60) GRM2MAPTPKMSMN1; SMN2HPGD
SCHEMBL12628760 0.74 GRM2 (0.70) BRD4BRPF1GRM2POLBMAPT
SCHEMBL19231462 0.73 CA2 (0.55) BRD4BRPF1GRM2MAPTSMN1; SMN2
SCHEMBL13354919 0.73 BRPF1 (0.53) BRD4BRPF1POLBTRIM24HPGD
SCHEMBL15043478 0.73 POLB (0.51) GRM2POLBMAPTPKMSMN1; SMN2

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-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
CN-115867557-A Azepine fused ring compounds and medical application thereof 中国医药研究开发中心有限公司 2023-03-28 CN disclosed
WO-2022237890-A1 AZEPINE-TYPE FUSED RING COMPOUND AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2022-11-17 WO disclosed
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US disclosed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 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 (3 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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 BRD4 1633/4885BRPF1 273/4885GRM2 4175/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 BRD4 2934/4885BRPF1 2376/4885GRM2 4397/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B BRD4 3078/4885BRPF1 2332/4885GRM2 4830/4885

“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.