SCHEMBL9921271

SCHEMBL9921271

COCCN1CCCC1COC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
ARG1 P05089 2/20 0.44
ARG2 P78540 2/20 0.44
HRH3 Q9Y5N1 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
GBA1 P04062 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14207962 1.00 HDAC8 (0.46) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL14207963 1.00 HDAC8 (0.46) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL13552420 0.89 HRH3 (0.48) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL23158167 0.87 DRD2 (0.39) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL28259575 0.86 S1PR1 (0.43) HDAC8HDAC6HRH3GBA1ADRA1A
SCHEMBL9289311 0.85 DRD2 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL9288703 0.85 DRD2 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL16508749 0.85 GBA1 (0.41) HRH3GBA1ADRA1AHRH1ADRA1B
SCHEMBL12847057 0.85 DRD2 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL23158329 0.85 GBA1 (0.41) HRH3GBA1ADRA1AHRH1ADRA1B

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
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed
WO-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 WO disclosed
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
US-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 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 (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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 HDAC8 1607/4885HDAC6 1141/4885HDAC1 2300/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HDAC8 1989/4885HDAC6 362/4885HDAC1 1314/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT HDAC8 884/4885HDAC6 48/4885HDAC1 678/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HDAC8 1989/4885HDAC6 362/4885HDAC1 1314/4885

“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.