SCHEMBL9709249

SCHEMBL9709249

Clc1ccc2c(Cl)c3ccccc3nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.72
MAOB P27338 1/20 0.72
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
POLB P06746 1/20 0.47
KDM1A O60341 1/20 0.46
NR4A2 P43354 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL11780381 0.90 MAOA (0.75) MAOAMAOBPOLBKDM1AKDM4E
SCHEMBL17423119 0.89 POLB (0.55) MAOAMAOBESR1ESR2POLB
SCHEMBL31500251 0.88 MAOA (0.52) MAOAMAOBESR1ESR2POLB
SCHEMBL15124839 0.85 MAOA (0.82) MAOAMAOBESR1ESR2POLB
SCHEMBL455949 0.85 MAOA (1.00) MAOAMAOBPOLBKDM1AKDM4E
SCHEMBL27889436 0.85 MAOA (1.00) MAOAMAOBPOLBKDM1AKDM4E
SCHEMBL7795994 0.85 ACHE (0.67) MAOAMAOBESR1ESR2POLB
SCHEMBL20535915 0.83 KDM4E (0.62) MAOAMAOBPOLBKDM4EALDH1A1
SCHEMBL9409823 0.83 SLC2A1 (0.53) MAOAMAOBESR1ESR2POLB
Hydrochloric Acid SCHEMBL28400797 0.83 MAOA (0.95) MAOAMAOBESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-09-29 US disclosed
WO-2020248075-A9 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-10-21 WO disclosed
WO-2020248075-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-12-17 WO disclosed
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 US disclosed
WO-2016005979-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HONEYBEES THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2016-01-14 WO disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
WO-2015085229-A1 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 US disclosed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2012-11-15 WO disclosed
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 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 (6 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 MAOA 2860/4885MAOB 2729/4885ESR1 4213/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS MAOA 3137/4885MAOB 4442/4885ESR1 4785/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 MAOA 2860/4885MAOB 2729/4885ESR1 4213/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 MAOA 2860/4885MAOB 2729/4885ESR1 4213/4885
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF ERCC4, ERCC1, ERCC2 MAOA 4817/4885MAOB 4793/4885ESR1 69/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 MAOA 2860/4885MAOB 2729/4885ESR1 4213/4885

“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.