SCHEMBL14105877

SCHEMBL14105877

Clc1nc2ccccc2c(Cl)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
KDM4E B2RXH2 3/20 0.52
PKM P14618 1/20 0.52
RORC P51449 7/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
TDP1 Q9NUW8 1/20 0.48
ENPP1 P22413 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL18456032 0.86 KDM4E (0.53) MAOAMAOBKDM4EPKMRORC
SCHEMBL1787324 0.81 KDM4E (0.48) MAOAMAOBKDM4EPKMESR1
SCHEMBL15647424 0.80 RORC (0.45) MAOAMAOBKDM4EPKMRORC
SCHEMBL15646540 0.79 RORC (0.53) KDM4EPKMRORCALDH1A1CYP1A2
SCHEMBL2720125 0.79 RORC (0.53) KDM4ERORCALDH1A1POLBMAPT
SCHEMBL16645288 0.79 RORC (0.56) RORCESR1ESR2
SCHEMBL6679033 0.79 MAOA (0.70) MAOAMAOBKDM4EPKMTDP1
SCHEMBL4824018 0.78 KDM4E (0.55) KDM4ERORCESR1ESR2LMNA
Water SCHEMBL27739698 0.77 MAOA (0.67) MAOAMAOBKDM4EPKMTDP1
SCHEMBL29175203 0.77 MAOA (0.67) MAOAMAOBKDM4EPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073729-A Phenyl-linked quinolinyl modulators of ROR γ t JANSSEN PHARMACEUTICA NV 2015-11-18 CN disclosed
US-7405303-B2 Substituted quinoline compounds for use as selective estrogen receptor modulator SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20070203180-A1 e.g. 4-[(7-Hydroxy-2-ethyl-3-phenyl-4-quinolinyl)oxyphenyl]-2-propenoic acid; bone diseases, aging, osteoporosis, osteoarthritis, atherosclerosis, menopausal disorders,liver and cardiovascular disorder, breast cancer SMITHKLINE BEECHAM CORPORATION 2007-08-30 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 (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-20070203180-A1 e.g. 4-[(7-Hydroxy-2-ethyl-3-phenyl-4-quinolinyl)oxyphenyl]-2-propenoic acid; bone diseases, aging, osteoporosis, osteoarthritis, atherosclerosis, menopausal disorders,liver and cardiovascular disorder, breast cancer GPER1, ESRRG, ESR2 MAOA 1250/4885MAOB 1485/4885KDM4E 2244/4885

“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.