SCHEMBL10035871

SCHEMBL10035871

CC1=Nc2ccc(S)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNE2 O96020 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31

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
SCHEMBL31142510 0.81 MEN1 (0.39) MEN1KMT2ACASP3RAB9AATM
SCHEMBL38660687 0.80 TDP1 (0.41) MEN1KMT2ACASP3RAB9AATM
SCHEMBL2344035 0.77 MEN1 (0.39) MEN1KMT2ACASP3RAB9AATM
SCHEMBL5460906 0.77 MEN1 (0.38) MEN1KMT2A
SCHEMBL29869219 0.75 RXRA (0.37) MEN1KMT2ATDP1L3MBTL1
SCHEMBL47326 0.75 RXRA (0.37) MEN1KMT2ATDP1L3MBTL1
SCHEMBL11839777 0.74 MEN1 (0.37) MEN1KMT2A
SCHEMBL5850640 0.74 MEN1 (0.37) MEN1KMT2ACASP3RAB9AATM
SCHEMBL4502019 0.74 MEN1 (0.37) MEN1KMT2ACCNE2CDK2CCND3
SCHEMBL3216062 0.74 EHMT2 (0.53) MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015518-B1 ACTIVE-TARGETING NEAR-INFRARED FLUORESCENT MOLECULE FOR TARGETING FOLATE RECEPTOR AND PREPARATION METHOD THEREFOR NANJING NUOYUAN MEDICAL DEVICES CO LTD (CN) 2023-10-25 EP disclosed
WO-2020251093-A1 RENAL CLEARABLE FLUORESCENT CONTRAST AGENT WITH INCREASED TUMOR SPECIFICITY, AND IMAGING METHOD USING SAME 나우비젼 주식회사 2020-12-17 WO disclosed
EP-1981846-B1 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2017-11-01 EP disclosed
US-9687567-B2 Charged-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-06-27 US disclosed
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 EP disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 US disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 US disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
WO-2009152440-A1 SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY CEDARS-SINAI MEDICAL CENTER (US) 2009-12-17 WO disclosed
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
US-7473415-B2 Near infrared fluorescent contrast agent and method for fluorescence imaging FUJI PHOTO FILM CO., LTD. (JP) 2009-01-06 US disclosed
US-20080318336-A1 Labels, Their Production Process And Their Uses LABORATOIRES SYNTH-INNOVE (FR) 2008-12-25 US disclosed
US-20080318336-A1 Labels, Their Production Process And Their Uses LABORATOIRES SYNTH-INNOVE (FR) 2008-12-25 US disclosed
US-7411068-B2 Luminescent compounds SETA BIOMEDICALS, LLC 2008-08-12 US disclosed
WO-2007017602-A2 MARQUEURS, LEUR PROCEDE DE FABRICATION ET LEURS APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2007-02-15 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 (3 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 MEN1 1430/4885KMT2A 2404/4885CASP3 1560/4885
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE CBR3, CYB5R3, TST MEN1 3812/4885KMT2A 3739/4885CASP3 291/4885
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES HLCS, PFAS, CYBA MEN1 3867/4885KMT2A 2800/4885CASP3 2359/4885

“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.