SCHEMBL191706

SCHEMBL191706

ONC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.52
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
OPRK1 P41145 2/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA1A P35348 1/20 0.42
KCNA3 P22001 2/20 0.40
TSHR P16473 3/20 0.39
CYP19A1 P11511 3/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TRPM2 O94759 1/20 0.39

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
SCHEMBL29262767 0.80 KCNN4 (0.61) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2273209 0.80 KCNN4 (0.57) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL12264150 0.78 KCNN4 (0.50) KCNN4HTR2AHTR2COPRK1KCNH2
Water SCHEMBL28025033 0.78 KCNN4 (0.55) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL316124 0.78 KCNN4 (0.55) KCNN4TSHRCYP3A4CYP1A2CYP2C9
SCHEMBL2392958 0.77 KCNN4 (0.49) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2223266 0.77 KCNN4 (0.44) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL11718872 0.77 KCNN4 (0.44) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL2390487 0.77 KCNN4 (0.44) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL12264151 0.76 KCNN4 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068488-A1 METHOD FOR SYNTHESISING PEPTIDIC COMPOUNDS, IN PARTICULAR ARGININE RESIDUES-CONTAINING PEPTIDIC COMPOUNDS ON A SOLID SUPPORT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-07-28 WO claimed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3215116-B1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIV OF THE SCIENCES IN PHILADELPHIA (US) 2020-09-30 EP disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-10265413-B2 High molecular weight biodegradable gelatin-doxorubicin conjugate UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2019-04-23 US disclosed
US-10005816-B2 Peptides and their use in food and beverage The Folger Coffee Company (US) 2018-06-26 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
US-20170354741-A1 HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2017-12-14 US disclosed
EP-3215116-A1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE University of the Sciences in Philadelphia (US) 2017-09-13 EP disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 WO disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors SWK FUNDING LLC 2004-04-22 US disclosed
EP-1328510-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LTD. (GB) 2003-07-23 EP disclosed
US-6531499-B2 Guanidine and acylurea derivatives as anticancer, antishock, and antiinflammatory agents WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-03-11 US disclosed
WO-2002030879-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-18 WO disclosed
US-20020032347-A1 Matrix metalloproteinase inhibitors and method of using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-03-14 US disclosed
US-6294694-B1 INHIBIT ENDOTOXIC SHOCK, SYSTEMIC INFLAMMATORY RESPONSE SYNDROME, PROLIFERATION OF CANCER CELLS, INVASION OF BASEMENT MEMBRANES BY CANCER CELLS WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-09-25 US disclosed
WO-2000075106-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHOD OF USING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-14 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 (8 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-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 KCNN4 4812/4885HTR2A 4644/4885HTR2C 4786/4885
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP KCNN4 4483/4885HTR2A 1312/4885HTR2C 1820/4885
US-20020032347-A1 Matrix metalloproteinase inhibitors and method of using same MMP25, MMP17, MMP2 KCNN4 3465/4885HTR2A 3758/4885HTR2C 3935/4885
US-20170354741-A1 HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE MMP2, DNASE1L3, DNASE1 KCNN4 4626/4885HTR2A 2687/4885HTR2C 3666/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP KCNN4 4483/4885HTR2A 1312/4885HTR2C 1820/4885
US-10265413-B2 High molecular weight biodegradable gelatin-doxorubicin conjugate MMP2, DNASE1L3, DNASE1 KCNN4 4626/4885HTR2A 2687/4885HTR2C 3666/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP KCNN4 4483/4885HTR2A 1312/4885HTR2C 1820/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 KCNN4 3058/4885HTR2A 1487/4885HTR2C 2230/4885

“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.