SCHEMBL2769748

SCHEMBL2769748

O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 1.00
POLB P06746 3/20 0.56
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL29363040 1.00 PARP1 (1.00) PARP1POLBALDH1A1CYP3A4CYP2D6
SCHEMBL2763527 0.95 PARP1 (0.90) PARP1POLBALDH1A1
SCHEMBL2763303 0.85 PARP1 (0.75) PARP1
SCHEMBL4071313 0.81 PARP1 (0.75) PARP1KMT2A
SCHEMBL2764349 0.81 PARP1 (1.00) PARP1POLBALDH1A1
SCHEMBL14170079 0.81 PARP1 (0.69) PARP1ALDH1A1CYP2D6KDM4E
SCHEMBL14170205 0.80 PARP1 (0.69) PARP1KMT2A
SCHEMBL2763788 0.79 PARP1 (0.65) PARP1ALDH1A1
SCHEMBL14924227 0.79 PARP1 (0.65) PARP1
SCHEMBL2764315 0.79 PARP1 (0.65) PARP1ALDH1A1KMT2AKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases UNM RAINFOREST INNOVATIONS 2023-06-13 US claimed
US-20210009549-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF BEETLEBUNG PHARMA LTD (IL) 2021-01-14 US disclosed
WO-2019159168-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF BEETLEBUNG PHARMA LTD. (IL) 2019-08-22 WO disclosed
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 US disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
US-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 US disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-12-22 US disclosed
US-6956035-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-10-18 US disclosed
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof JAGTAP PRAKASH (US) 2005-03-03 US disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 US disclosed
EP-1420785-A2 SUBSTITUTED INDENO 1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2004-05-26 EP disclosed
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-02-26 US disclosed
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-09-11 US disclosed
WO-2003020700-A2 SUBSTITUTED INDENO[1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2003-03-13 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 (7 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-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 PARP1 363/4885POLB 661/4885ALDH1A1 1165/4885
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases SOST, ACP3, KLK3 PARP1 3794/4885POLB 3042/4885ALDH1A1 2105/4885
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 PARP1 337/4885POLB 1794/4885ALDH1A1 553/4885
US-20210009549-A1 CANNABINOID DERIVATIVES AND CONJUGATES AND USES THEREOF CNR1, GLRA1, GLRA3 PARP1 1207/4885POLB 4258/4885ALDH1A1 1473/4885
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885POLB 661/4885ALDH1A1 1165/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885POLB 661/4885ALDH1A1 1165/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885POLB 661/4885ALDH1A1 1165/4885

“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.