SCHEMBL9868798

SCHEMBL9868798

CCN1CNc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.44
BRPF1 P55201 1/20 0.42
EPHX2 P34913 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HSD17B3 P37058 2/20 0.36
BRD4 O60885 1/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7854100 0.85 MEN1 (0.44) BRPF1EPHX2TAAR1HSD17B3BRD4
SCHEMBL6450576 0.83 BRPF1 (0.44) BRPF1EPHX2HSD17B3BRD4ALOX12
SCHEMBL8091908 0.82 BRPF1 (0.41) BRPF1GAAMEN1KMT2AALDH1A1
SCHEMBL4793671 0.81 BRD4 (0.41) GRIA2BRPF1EPHX2HSD17B3BRD4
SCHEMBL1645852 0.80 BRPF1 (0.38) BRPF1EPHX2HSD17B3BRD4ALOX12
SCHEMBL9038711 0.79 CES1 (0.44) BRPF1MEN1KMT2AALDH1A1
SCHEMBL5232142 0.78 MAPT (0.42) GRIA2BRPF1BRD4GAAMEN1
SCHEMBL9304274 0.77 EPHX2 (0.57) EPHX2BRD4ALOX12KMT2AALDH1A1
SCHEMBL7544166 0.77 GAA (0.42) GRIA2BRPF1EPHX2GAAMEN1
SCHEMBL10680826 0.77 BRPF1 (0.40) BRPF1EPHX2HSD17B3BRD4ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 WO disclosed
WO-2019161781-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF 北京泰德制药股份有限公司 2019-08-29 WO disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-8309537-B2 Compositions and methods for treating colitis AERPIO THERAPEUTICS INC. (US) 2012-11-13 US disclosed
US-20110112055-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS AERPIO THERAPEUTICS LLC 2011-05-12 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US disclosed
EP-0097720-B1 PROCESS FOR PREPARING SILVER HALIDE EMULSION KONICA CORPORATION (JP) 1986-11-26 EP disclosed
EP-0097720-A1 PROCESS FOR PREPARING SILVER HALIDE EMULSION KONICA CORPORATION (JP) 1984-01-11 EP disclosed
US-4307185-A SENSITIZING DYE OF CYANINE STRUCTURE FUJI PHOTO FILM CO., LTD. (JP) 1981-12-22 US disclosed
US-4268620-A Method of processing of light-sensitive silver halide photographic material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-05-19 US disclosed
US-4001020-A DEVELOPING A SILVER HA1IDE EMULSION IN CONTACT WITH A HETEROCYCLIC THIONE AND A POLYALKYLENE OXIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-01-04 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 (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-20110112055-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS ALPI, SI, SLC10A2 GRIA2 1994/4885BRPF1 3419/4885EPHX2 472/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 GRIA2 2150/4885BRPF1 1786/4885EPHX2 170/4885

“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.