SCHEMBL3434341

SCHEMBL3434341

Clc1ccc2c(c1)N=C(c1ccccc1)CO2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.82
NPC1 O15118 6/20 0.82
RAB9A P51151 6/20 0.82
KDM4E B2RXH2 4/20 0.82
SMN1; SMN2 Q16637 4/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
ALDH1A1 P00352 3/20 0.66
GAA P10253 3/20 0.66
LMNA P02545 3/20 0.66
MAPK1 P28482 2/20 0.65
HTT P42858 2/20 0.50
ALOX12 P18054 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
MAOB P27338 3/20 0.47
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL12206687 0.88 MAPT (0.66) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL16781516 0.85 MAPT (0.64) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL16781515 0.85 MAPT (0.83) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18470712 0.85 MAPT (0.84) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12206695 0.81 MAPT (0.75) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2524831 0.80 MAPT (1.00) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12206705 0.79 MAPT (1.00) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12206704 0.79 MAPT (0.78) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12206696 0.78 MAPT (0.77) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13170636 0.77 MAPT (0.93) MAPTNPC1RAB9AKDM4ESMN1; SMN2

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
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-02-09 US disclosed
US-9512092-B2 Retinoic acid receptor antagonists as chaperone-mediated autophagy modulators and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-12-06 US disclosed
US-20150166492-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE 2015-06-18 US disclosed
US-8581005-B2 Mitochondrial inhibitors to treat human disease ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-11-12 US disclosed
US-8581005-B2 Mitochondrial inhibitors to treat human disease ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-11-12 US disclosed
US-20120093728-A1 MITOCHONDRIAL INHIBITORS TO TREAT HUMAN DISEASE ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2012-04-19 US disclosed
US-20120093728-A1 MITOCHONDRIAL INHIBITORS TO TREAT HUMAN DISEASE ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2012-04-19 US disclosed
US-20110251189-A1 HYPOXIA TARGETED COMPOUNDS FOR CANCER DIAGNOSIS AND THERAPY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-10-13 US disclosed
US-20110251189-A1 HYPOXIA TARGETED COMPOUNDS FOR CANCER DIAGNOSIS AND THERAPY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-10-13 US disclosed
WO-2010120337-A1 MITOCHONDRIAL INHIBITORS TO TREAT HUMAN DISEASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-10-21 WO disclosed
WO-2010068238-A1 HYPOXIA TARGETED COMPOUNDS FOR CANCER DIAGNOSIS AND THERAPY ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-06-17 WO 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-20120093728-A1 MITOCHONDRIAL INHIBITORS TO TREAT HUMAN DISEASE TFAM, AIFM1, FH MAPT 1206/4885NPC1 616/4885RAB9A 985/4885
US-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF RXRA, RARB, RARA MAPT 1343/4885NPC1 355/4885RAB9A 402/4885
US-20110251189-A1 HYPOXIA TARGETED COMPOUNDS FOR CANCER DIAGNOSIS AND THERAPY HIF1A, HIF1AN, HYOU1 MAPT 3842/4885NPC1 3139/4885RAB9A 4390/4885
US-20150166492-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS AND USES THEREOF RARA, RARB, RXRA MAPT 1742/4885NPC1 277/4885RAB9A 285/4885

“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.