SCHEMBL894456

SCHEMBL894456

O=Cc1cccc2c1OCCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ERN1 O75460 3/20 0.34
HTR1A P08908 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL29952627 1.00 PARP1 (0.42) PARP1MEN1LMNATHRBBLM
SCHEMBL734868 0.89 PARP1 (0.53) PARP1MEN1LMNATHRBBLM
SCHEMBL29385220 0.89 PARP1 (0.53) PARP1MEN1LMNATHRBBLM
SCHEMBL6293516 0.85 PARP1 (0.37) PARP1MEN1LMNATHRBBLM
SCHEMBL17842806 0.77 ERN1 (0.33) MEN1LMNATHRBBLMKMT2A
SCHEMBL18182086 0.77 ERN1 (0.39) PARP1MEN1LMNATHRBBLM
SCHEMBL1253612 0.77 KDM4E (0.53) MEN1LMNATHRBBLMKMT2A
SCHEMBL27371497 0.76 PARP1 (0.41) PARP1MEN1LMNATHRBBLM
SCHEMBL4992978 0.76 MEN1 (0.44) PARP1MEN1LMNATHRBBLM
SCHEMBL28191044 0.76 PARP1 (0.38) PARP1NAMPTKDM4ECLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
WO-2016172191-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-27 WO disclosed
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-03-18 US disclosed
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
CN-1379761-A Fused indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESAERCH LTD (GB) 2002-11-13 CN disclosed
WO-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed
EP-1202964-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012602-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed
WO-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
WO-2001009112-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 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 (6 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT PARP1 169/4885MEN1 3715/4885LMNA 3070/4885
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 PARP1 3119/4885MEN1 2806/4885LMNA 3157/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT PARP1 169/4885MEN1 3715/4885LMNA 3070/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 PARP1 3119/4885MEN1 2806/4885LMNA 3157/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT PARP1 169/4885MEN1 3715/4885LMNA 3070/4885
US-20040052822-A1 Dihydropyrazolopyridine compounds and pharmaceutical use thereof GSK3B, GSK3A, PYGB PARP1 1974/4885MEN1 3826/4885LMNA 3445/4885

“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.