SCHEMBL1438677

SCHEMBL1438677

C1=Cc2cc3ccccc3cc2NC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL16105727 0.96 GAA (0.35) GAAMEN1ALDH1A1LMNATP53
SCHEMBL281936 0.79 NPC1 (0.41) MEN1ALDH1A1TP53POLBALOX15
SCHEMBL29415525 0.74 GAA (0.48) GAAALOX15HSD17B10MAPTTNKS2
SCHEMBL34295 0.74 GAA (0.48) GAAALOX15HSD17B10MAPTTNKS2
Bromide SCHEMBL8857359 0.72 GAA (0.46) GAAALOX15HSD17B10MAPTTNKS2
SCHEMBL8489461 0.72 GAA (0.46) GAAALOX15HSD17B10MAPTTNKS2
SCHEMBL28397446 0.72 GAA (0.46) GAAALOX15HSD17B10MAPTTNKS2
Potassium SCHEMBL9683518 0.72 GAA (0.46) GAAALOX15HSD17B10MAPTTNKS2
Hydrochloric Acid SCHEMBL9047476 0.72 GAA (0.46) GAAMEN1ALDH1A1ALOX15KMT2A
SCHEMBL9683514 0.72 GAA (0.46) GAAALOX15HSD17B10MAPTTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473563-A2 REACTIVE CYANINE COMPOUNDS Promega Corporation (US) 2012-07-11 EP disclosed
WO-2011026085-A2 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 WO disclosed
US-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2003-07-10 US disclosed
EP-0948478-B1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-04-10 EP disclosed
US-6211385-B1 STARTING FROM THIOCHROMAN-4-ONE COMPOUND ALLERGAN SALES, INC. 2001-04-03 US disclosed
WO-2000068220-A1 PROCESS FOR PREPARING SUBSTITUTED BENZO[1,2-G]-CHROM-3-ENE, BENZO[1,2-G]-THIOCHROM-3-ENE AND BENZO[1,2-G]-1,2-DIHYDROQUINOLINE DERIVATIVES ALLERGAN SALES, INC. (US) 2000-11-16 WO disclosed
US-6087505-A Benzo[1,2-G]-chrom-3-ene, and benzo[1,2-G]-thiochrom-3-ene derivatives ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed
US-6043381-A Process for preparing substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo[1,2-g]-1,2-dihydroquinoline derivatives ALLERGAN SALES, INC. (US) 2000-03-28 US disclosed
US-6043381-A Process for preparing substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo[1,2-g]-1,2-dihydroquinoline derivatives ALLERGAN SALES, INC. (US) 2000-03-28 US disclosed
EP-0948478-A1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO 1,2-g]-CHROM-3-ENE, BENZO 1,2-g]-THIOCHROM-3-ENE AND BENZO 1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 1999-10-13 EP disclosed
WO-1998025875-A1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-06-18 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 (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-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, RARG, NR2E3 GAA 2337/4885MEN1 4435/4885ALDH1A1 364/4885
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, NR2E3, RARG GAA 2314/4885MEN1 4055/4885ALDH1A1 245/4885

“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.