SCHEMBL4357989

SCHEMBL4357989

Clc1ccc(CN2CCCc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.63
HDAC6 Q9UBN7 5/20 0.63
HDAC3 O15379 2/20 0.63
HDAC2 Q92769 2/20 0.63
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
HDAC8 Q9BY41 3/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.57
PKM P14618 1/20 0.57
NR4A1 P22736 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM1 P11229 1/20 0.55

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
SCHEMBL29483480 1.00 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL12679023 0.93 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL28567500 0.90 DRD4 (0.61) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL12679041 0.89 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL29483474 0.88 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL1461825 0.88 HDAC1 (0.63) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL11784819 0.86 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL29483477 0.86 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL29483472 0.86 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC2GAA
SCHEMBL1772155 0.86 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812060-B Arylation method of tetrahydroquinoline 绍兴文理学院 2022-04-29 CN disclosed
CN-112812060-A Arylation method of tetrahydroquinoline 绍兴文理学院 2021-05-18 CN disclosed
US-8883841-B2 Oncogenic ras-specific cytotoxic compound and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-11 US disclosed
EP-1956910-B1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF UNIV TEXAS (US) 2014-09-17 EP disclosed
US-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-19 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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-20090286847-A1 ONCOGENIC RAS-SPECIFIC CYTOTOXIC COMPOUND AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC1 1148/4885HDAC6 1132/4885HDAC3 1739/4885

“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.