SCHEMBL11987771

SCHEMBL11987771

Cc1c(NC(=O)c2cc3c(s2)CCCCC3)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.51
RAB9A P51151 10/20 0.51
KDM4E B2RXH2 6/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 7/20 0.50
MAPT P10636 6/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.47
BTK Q06187 1/20 0.46
LMNA P02545 5/20 0.46

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
SCHEMBL29709500 0.99 ALDH1A1 (0.51) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL1068162 0.99 ALDH1A1 (0.51) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL1205527 0.82 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL1204429 0.81 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL105072 0.81 DHPS (0.50) ALDH1A1RAB9ABTKLMNASTAT1
SCHEMBL18130771 0.80 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL21452323 0.79 BRD4 (0.42) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL28928116 0.78 ALDH1A1 (0.59) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL9985857 0.77 RAB9A (0.51) ALDH1A1RAB9AKDM4ENPSR1SMN1; SMN2
SCHEMBL29782491 0.75 BTK (0.46) RAB9ASMN1; SMN2NPC1MAPTBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
US-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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 (2 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-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 ALDH1A1 3393/4885RAB9A 2467/4885KDM4E 1434/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 ALDH1A1 3393/4885RAB9A 2467/4885KDM4E 1434/4885

“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.