SCHEMBL2174670

SCHEMBL2174670

O=C(O)C(OCl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
PPARA Q07869 4/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13431734 1.00 SRC (0.50) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL248434 1.00 SRC (0.50) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL12134271 0.82 SRC (0.50) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL11462913 0.82 SRC (0.50) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL8400939 0.81 SRC (0.54) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL974061 0.79 SRC (0.52) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL11404609 0.79 SRC (0.52) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL14686240 0.77 CYP2D6 (0.50) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL103235 0.77 ALDH1A1 (0.54) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL155984 0.77 ALDH1A1 (0.54) SRCCYP2D6LMNAMAPK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021895-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2022-07-06 EP claimed
WO-2021037868-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-04 WO claimed
EP-4021895-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2022-07-06 EP disclosed
EP-3875594-A1 PREPARATION METHOD FOR (R)-O-CHLOROMANDELIC ACID AND CYCLIC BIOENZYME CATALYTIC REACTION SYSTEM FOR THE PREPARATION METHOD Wuhan Wuyao Pharmaceutical Co., Ltd. (CN) 2021-09-08 EP disclosed
WO-2021037868-A1 NOVEL QUINAZOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-04 WO disclosed
EP-2532665-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XUANZHU PHARMA CO LTD (CN) 2016-09-07 EP disclosed
US-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES SIHUAN PHARMACEUTICAL HOLDINGS GROUP LTD. (CN) 2016-06-23 US disclosed
US-9315513-B2 Benzimidazole derivatives and their pharmaceutical compositions and uses Xuanzhu Pharma Co., Ltd. (CN) 2016-04-19 US disclosed
EP-2413711-B1 DIPEPTIDE AS FEEDSTUFF ADDITIVE EVONIK DEGUSSA GMBH (DE) 2014-08-06 EP disclosed
US-20140205711-A1 DIPEPTIDES AS FEED ADDITIVES EVONIK DEGUSSA GMBH (DE) 2014-07-24 US disclosed
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses Xuanzhu Pharma Co., Ltd. (CN) 2013-01-24 US disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
CN-1085556-A The 4-pyrimidyl and the pyridinyl derivatives of the indol-3-yl alkylpiperazine of anti-migraine BRISTOL MYERS SQUIBB CO (US) 1994-04-20 CN disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
US-4904065-A Liquid crystal optical element and method of producing the same using ferroelectric polymer liquid crystal IDEMITSU KOSAN CO., LTD. (JP) 1990-02-27 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-20160176892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES F12, HRH2, H1-3 SRC 4276/4885CYP2D6 152/4885LMNA 1847/4885
US-20130023568-A1 Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses F12, HRH2, H1-3 SRC 4276/4885CYP2D6 152/4885LMNA 1847/4885

“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.