SCHEMBL2461963

SCHEMBL2461963

C(=C/c1c[nH]c2ccccc12)\c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
NPC1 O15118 4/20 0.69
USP2 O75604 3/20 0.69
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 2/20 0.63
APOBEC3A P31941 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
CYP2A6 P11509 1/20 0.58
IMPDH2 P12268 1/20 0.58
HPGD P15428 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NQO2 P16083 2/20 0.54

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
SCHEMBL2461966 1.00 RAB9A (0.69) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL30869156 0.94 MEN1 (0.71) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL10489040 0.90 CYP2A6 (0.69) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL2604943 0.89 MEN1 (0.60) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL18160195 0.86 MEN1 (0.61) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL20921497 0.86 MEN1 (0.61) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL29506661 0.86 MEN1 (0.66) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL18666459 0.86 MEN1 (0.61) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL18160296 0.86 MEN1 (0.66) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL3151185 0.86 MEN1 (0.61) RAB9AMEN1KMT2ANPC1USP2

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
CN-117925097-A Environment-friendly aggregation-induced emission flame-retardant coating and preparation method thereof 天津市职业大学 2024-04-26 CN disclosed
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 US disclosed
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-10-03 US disclosed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (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 (7 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 RAB9A 1876/4885MEN1 2123/4885KMT2A 3853/4885
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET RAB9A 3044/4885MEN1 2613/4885KMT2A 4354/4885
US-20190300480-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 RAB9A 2978/4885MEN1 681/4885KMT2A 4323/4885
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 RAB9A 2978/4885MEN1 681/4885KMT2A 4323/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 RAB9A 2978/4885MEN1 681/4885KMT2A 4323/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 RAB9A 2978/4885MEN1 681/4885KMT2A 4323/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 RAB9A 2978/4885MEN1 681/4885KMT2A 4323/4885

“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.