SCHEMBL2492670

SCHEMBL2492670

O=C1CCC(c2ccccc2Cl)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2514589 0.89 MAPT (0.41) TP53RECQLALDH1A1KDM4ESMN1; SMN2
SCHEMBL2491015 0.86 HTT (0.46) TP53ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2490001 0.80 RAB9A (0.46) TP53ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL29481032 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL29757859 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL30489007 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL7736643 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL260267 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL6261864 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA
SCHEMBL260276 0.80 SLC6A2 (0.55) TP53SMN1; SMN2TSHRMAPTLMNA

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 9 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
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US 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
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP disclosed
CN-1054380-C Condensed cyclic compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 CN disclosed
US-5698691-A ANTICHOLESTEROL AGENT; SYNTHETASE INHIBITOR; FUNGICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-16 US disclosed
EP-0645378-A1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-03-29 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 (1 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-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 TP53 8/4885RECQL 79/4885ALDH1A1 510/4885

“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.