SCHEMBL17680907

SCHEMBL17680907

Cc1nn(C(C)c2ccccc2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CYP2D6 P10635 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.32
FAAH O00519 1/20 0.32
KLKB1 P03952 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 1/20 0.30
PLK1 P53350 1/20 0.30
ANPEP P15144 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL18390323 0.81 FFAR1 (0.31)
SCHEMBL22368717 0.78 CREBBP (0.40) CREBBPMEN1KMT2AHSD17B10KDM4E
SCHEMBL23674273 0.77 FFAR1 (0.31) LPLLIPG
SCHEMBL23647479 0.74 DRD2 (0.42) MEN1KMT2AKDM4ELMNANPSR1
SCHEMBL15653179 0.74 FFAR1 (0.44) CREBBPLPLLIPGCYP2D6
SCHEMBL17680908 0.73 CREBBP (0.38) CREBBPMEN1KMT2AHSD17B10KDM4E
SCHEMBL17680714 0.73 MEN1 (0.46) CREBBPMEN1KMT2AHSD17B10KDM4E
SCHEMBL16376934 0.73 MEN1 (0.46) CREBBPMEN1KMT2AHSD17B10KDM4E
SCHEMBL14857524 0.72 ADORA3 (0.41) KDM4ELMNANPSR1LPLLIPG
SCHEMBL1094283 0.71 LPL (0.36) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
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-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
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 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 2/4885MEN1 1807/4885KMT2A 264/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CREBBP 2/4885MEN1 1807/4885KMT2A 264/4885

“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.