SCHEMBL307689

SCHEMBL307689

O=c1[nH]ccc2c(I)cccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.62
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
BLM P54132 1/20 0.62
PARP15 Q460N3 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 1/20 0.46

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
SCHEMBL14027180 0.78 PARP1 (0.62) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL31743106 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL832144 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL29488098 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL30033470 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2172575 0.77 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL12463821 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1536658 0.77 PARP1 (0.60) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL29492688 0.77 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL29519573 0.77 PARP1 (1.00) PARP1ALDH1A1HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 US disclosed
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 US disclosed
US-8030320-B2 Derivatives of 1-OXO-1,2-dihydroisoquinoline-5-carboxamides and of 4-OXO-3,4-dihydroquinazoline-8-carboxamides, preparation thereof and application thereof in therapeutics SANOFI-AVENTIS (FR) 2011-10-04 US disclosed
US-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185523-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044018-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
WO-2009044018-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 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-20100197706-A1 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS BRD4, CNR2, AADAC PARP1 366/4885ALDH1A1 526/4885HSD17B10 3800/4885
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PARP1 1735/4885ALDH1A1 3335/4885HSD17B10 4051/4885

“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.