SCHEMBL2491015

SCHEMBL2491015

O=C1CCC(c2ccc(Cl)cc2Cl)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
TNKS2 Q9H2K2 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL2492670 0.86 TP53 (0.42) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL7749761 0.82 GAA (0.43) HTTALDH1A1MAPTNPSR1KDM4E
SCHEMBL2514589 0.82 MAPT (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2490001 0.80 RAB9A (0.46) HTTALDH1A1MAPTNPSR1KDM4E
SCHEMBL30592537 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL260267 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL30489007 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL7736643 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL6261864 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9
SCHEMBL260276 0.77 SLC6A2 (0.55) MAPTLMNACYP1A2CYP2D6CYP2C9

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-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
CN-102325755-B Substituted 5,6-dihydro-6-phenylbenzo[f] isoquinolin-2-amine compounds ARQULE INC 2015-07-01 CN disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP disclosed
EP-2379506-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
EP-0346226-B1 PROCESS FOR THE PREPARATION OF 4-ARYL DISUBSTITUTED-1-TETRALONES SYNTHELABO (FR) 1993-02-17 EP disclosed
US-5019655-A Method of preparing 4-dichlorophenyl-1-tetralones DELALANDE S.A. (FR) 1991-05-28 US disclosed
US-4678791-A 6-phenyl-1,2-3,4,4a,5-6,10b-octahydrobenz(h)isoquinolines useful for treating depression PENNWALT CORPORATION (US) 1987-07-07 US disclosed
EP-0201085-A2 6-Phenyl-1,2,3,4,4a,5,6,10b-octahydrobenz(h) isoquinolines PENNWALT CORPORATION (US) 1986-11-12 EP 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 HTT 1191/4885ALDH1A1 460/4885MAPT 3332/4885
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTT 957/4885ALDH1A1 510/4885MAPT 1884/4885

“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.