SCHEMBL363433

SCHEMBL363433

Cc1cc(CC=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.46
KCNQ2 O43526 1/20 0.45
GRM5 P41594 1/20 0.37
FFAR1 O14842 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DYRK1A Q13627 1/20 0.35
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
WNT3A P56704 4/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TYMS P04818 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
Hydrochloric Acid SCHEMBL30527118 0.98 UHRF1 (0.45) UHRF1KCNQ2GRM5FFAR1NOS3
SCHEMBL362871 0.82 UHRF1 (0.42) UHRF1KCNQ2GRM5FFAR1NOS3
SCHEMBL8754697 0.79 UHRF1 (0.42) UHRF1KCNQ2GRM5FFAR1NOS3
SCHEMBL751470 0.78
SCHEMBL4355540 0.78 UHRF1 (0.54) UHRF1KCNQ2GRM5FFAR1NOS3
SCHEMBL6024921 0.77 UHRF1 (0.41) UHRF1KCNQ2GRM5FFAR1NOS3
SCHEMBL14197632 0.77 KCNQ2 (0.38) UHRF1KCNQ2FFAR1NOS1WNT3A
SCHEMBL212981 0.76
SCHEMBL29371239 0.76
SCHEMBL1873732 0.75 PARP1 (0.40) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 CN disclosed
EP-4090426-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2022-11-23 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021146192-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2021-07-22 WO disclosed
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
EP-3110802-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-04 EP disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 WO disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed
WO-2015128307-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-03 WO disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2013019626-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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 (1 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 UHRF1 4269/4885KCNQ2 3641/4885GRM5 993/4885

“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.