SCHEMBL357314

SCHEMBL357314

CCC(=O)NCCNC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
TSHR P16473 1/20 0.48
PAOX Q6QHF9 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ADRA1A P35348 1/20 0.41
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
F13A1 P00488 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
SCHEMBL27383467 0.90 MEN1 (0.81) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL15934269 0.90 MEN1 (0.73) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL12799428 0.89 MEN1 (0.78) MEN1KMT2ATSHRALDH1A1RECQL
SCHEMBL12022553 0.88 MEN1 (0.77) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL25970361 0.84 TSHR (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL8107 0.83 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL16072836 0.80 CASP2 (0.59) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL16174265 0.80 MEN1 (0.57) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL6217072 0.79
SCHEMBL6755662 0.79

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US claimed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP claimed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US claimed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO claimed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma AG (DE) 2018-07-05 US disclosed
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-7795298-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2010-09-14 US disclosed
EP-1667996-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP 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 (9 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 MEN1 1041/4885KMT2A 4686/4885KDM4E 4663/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MEN1 332/4885KMT2A 4190/4885KDM4E 3873/4885
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C MEN1 2184/4885KMT2A 563/4885KDM4E 987/4885
US-20180185510-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES KIF23, KIF5B, KIF2C MEN1 1837/4885KMT2A 501/4885KDM4E 506/4885
US-20180015176-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES TNFSF11, TNFRSF9, CD40 MEN1 1711/4885KMT2A 786/4885KDM4E 278/4885
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MEN1 1264/4885KMT2A 3032/4885KDM4E 1788/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 MEN1 1264/4885KMT2A 3032/4885KDM4E 1788/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 MEN1 1032/4885KMT2A 1585/4885KDM4E 599/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 MEN1 1364/4885KMT2A 165/4885KDM4E 320/4885

“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.