SCHEMBL710300

SCHEMBL710300

COc1ccc(C=Cc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
TRPA1 O75762 1/20 0.63
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
ATM Q13315 1/20 0.57
RELA Q04206 4/20 0.53
SNCA P37840 1/20 0.52

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
SCHEMBL710299 1.00 MAPT (0.66) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL710153 0.90 NPC1 (0.55) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL710154 0.90 NPC1 (0.55) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL8782792 0.88 MAOB (0.53) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL14399195 0.87 NQO2 (0.55) MAPTTRPA1NPC1RAB9ACYP1A2
SCHEMBL28595722 0.84 KMT2A (0.80) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL29419010 0.84 KMT2A (0.80) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL16597820 0.81 KDM4E (0.63) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL16597578 0.81 KDM4E (0.63) MAPTTRPA1NPC1RAB9AKDM4E
SCHEMBL19076166 0.81 RELA (0.60) MAPTNPC1RAB9ACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698391-B Preparation method of heterocycle substituted alkyl sulfone or heterocycle substituted alkyl sulfonamide compound 台州学院 2021-06-25 CN disclosed
CN-110698391-A Preparation method of heterocycle substituted alkyl sulfone or heterocycle substituted alkyl sulfonamide compound 台州学院 2020-01-17 CN disclosed
US-9868705-B2 Tetra-aryl cyclobutane inhibitors of androgen receptor action for the treatment of hormone refractory cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-01-16 US disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
WO-2015048246-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-02 WO disclosed
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 US disclosed
US-3940486-A Imidazole derivatives in the treatment of pain CIBA-GEIGY CORPORATION (US) 1976-02-24 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 (4 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB MAPT 4421/4885TRPA1 4235/4885NPC1 3699/4885
US-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB MAPT 3896/4885TRPA1 2541/4885NPC1 19/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C MAPT 907/4885TRPA1 231/4885NPC1 804/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 MAPT 3909/4885TRPA1 2509/4885NPC1 48/4885

“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.