SCHEMBL17680245

SCHEMBL17680245

C/C(=C\c1ccccc1)c1cccc2c1NCCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 16/20 0.64
BRD4 O60885 12/20 0.64
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM1A O60341 1/20 0.34
MAPT P10636 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
SCHEMBL17680952 0.79 CREBBP (0.65) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL17680942 0.79 CREBBP (0.65) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL17680871 0.78 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368597 0.75 CREBBP (0.61) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL22368804 0.73 CREBBP (0.62) CREBBPBRD4
SCHEMBL22368711 0.73 CREBBP (0.68) CREBBPBRD4
SCHEMBL22368901 0.72 CREBBP (0.46) CREBBPBRD4MAPT
SCHEMBL17680986 0.71 CREBBP (0.39) CREBBPBRD4NPC1MAPK13MAPK12
SCHEMBL17680982 0.71 CREBBP (0.64) CREBBPBRD4
SCHEMBL17680903 0.71 CREBBP (0.64) CREBBPBRD4NPC1MAPT

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
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 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 (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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 CREBBP 2/4885BRD4 18/4885NISCH 2891/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CREBBP 2/4885BRD4 18/4885NISCH 2891/4885

“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.