SCHEMBL16583186

SCHEMBL16583186

O=[C]c1ccc(N2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.48
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 7/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 3/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX15 P16050 2/20 0.48

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
SCHEMBL4871815 0.98 ALDH1A1 (0.53) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL517732 0.83 LMNA (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL10300050 0.81 ALDH1A1 (0.52) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL518966 0.81 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL15817965 0.81 ADRB1 (0.57) ALDH1A1KDM4ELMNATP53HSD17B10
SCHEMBL2174173 0.80 ALDH1A1 (0.67) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL578312 0.77 AKR1C3 (0.53) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL154178 0.77 KDM4E (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL29475563 0.77 ALDH1A1 (0.71) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6887590 0.77 ALDH1A1 (0.71) TRIM24TRIM33ALDH1A1KDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103201267-B AMPK-activating heterocyclic compounds and methods of use thereof 里格尔药品股份有限公司 2016-08-17 CN disclosed
US-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-03-26 US disclosed
CN-1024548-C Cyclic amine compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-18 CN disclosed
CN-1053231-A Cyclic amine compound and uses thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-07-24 CN 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-20150087673-A1 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS PRKAG3, PRKAG1, PRKAG2 TRIM24 2197/4885TRIM33 2860/4885ALDH1A1 613/4885

“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.