SCHEMBL994533

SCHEMBL994533

C[C@@H](C(=O)O)N1c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
LMNA P02545 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.41
USP5 P45974 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS2 P35354 1/20 0.41
P2RX4 Q99571 2/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX7 Q99572 1/20 0.40
BCHE P06276 2/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL20291545 0.85 KDM4E (0.45) KMT2AKDM4EGAACASP1CASP7
SCHEMBL439056 0.85 BCHE (0.56) CYP2D6PTGS2BCHEHTR1AADRB3
SCHEMBL179726 0.85 P2RX4 (0.56) KMT2AKDM4EGAACASP1CASP7
SCHEMBL18258640 0.78 KMT2A (0.61) KMT2AKDM4EGAACASP1CASP7
SCHEMBL281623 0.78 KMT2A (0.61) KMT2AKDM4EGAACASP1CASP7
SCHEMBL18974288 0.78 KMT2A (0.61) KMT2AKDM4EGAACASP1CASP7
SCHEMBL125972 0.77 LMNA (0.71) KMT2AKDM4EGAACASP1CASP7
SCHEMBL7399848 0.77 LMNA (0.71) KMT2AKDM4EGAACASP1CASP7
SCHEMBL478339 0.77 LMNA (0.71) KMT2AKDM4EGAACASP1CASP7
SCHEMBL29472125 0.77 LMNA (0.71) KMT2AKDM4EGAACASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519504-B2 Methods for treatment of oncological disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers BERG LLC (US) 2019-12-31 US disclosed
US-9205064-B2 Methods for the diagnosis of oncological disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers BERG LLC (US) 2015-12-08 US disclosed
US-20150023940-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING AN EPIMETABOLIC SHIFTER (COENZYME Q10) BERG PHARMA LLC (US) 2015-01-22 US disclosed
US-8580442-B2 Fuel cell system and method of repairing electrolyte membrane thereof NISSAN MOTOR CO., LTD. (JP) 2013-11-12 US disclosed
EP-1942541-B1 FUEL CELL SYSTEM AND METHOD FOR REPAIRING ELECTROLYTE FILM THEREOF NISSAN MOTOR (JP) 2011-10-19 EP disclosed
US-20110123986-A1 METHODS FOR THE DIAGNOSIS OF METABOLIC DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS BERG PHARMA LLC 2011-05-26 US disclosed
US-20110123987-A1 METHODS FOR THE DIAGNOSIS OF ONCOLOGICAL DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS BPGBIO, INC. 2011-05-26 US disclosed
US-20110110914-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS BERG, KARA ANN 2011-05-12 US disclosed
US-20110027247-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING AN EPIMETABOLIC SHIFTER (COENZYME Q10) BERG LLC 2011-02-03 US disclosed
US-20110020312-A1 METHODS FOR TREATMENT OF METABOLIC DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS BERG LLC 2011-01-27 US disclosed
US-20090226773-A1 FUEL CELL SYSTEM AND METHOD OF REPAIRING ELECTROLYTE MEMBRANE THEREOF NISSAN MOTOR CO., LTD. (JP) 2009-09-10 US disclosed
EP-1942541-A1 FUEL CELL SYSTEM AND METHOD FOR REPAIRING ELECTROLYTE FILM THEREOF Nissan Motor Company Limited (JP) 2008-07-09 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 (5 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-20110110914-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS SHMT2, IDH2, GSR KMT2A 1977/4885KDM4E 2809/4885GAA 881/4885
US-20110020312-A1 METHODS FOR TREATMENT OF METABOLIC DISORDERS USING EPIMETABOLIC SHIFTERS, MULTIDIMENSIONAL INTRACELLULAR MOLECULES, OR ENVIRONMENTAL INFLUENCERS PC, GLS2, PCK2 KMT2A 2829/4885KDM4E 2944/4885GAA 300/4885
US-20150023940-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING AN EPIMETABOLIC SHIFTER (COENZYME Q10) SLC25A20, NDUFB10, NDUFA10 KMT2A 1796/4885KDM4E 2057/4885GAA 863/4885
US-20110027247-A1 METHODS FOR TREATMENT OF ONCOLOGICAL DISORDERS USING AN EPIMETABOLIC SHIFTER (COENZYME Q10) SLC25A20, NDUFB10, NDUFA10 KMT2A 1796/4885KDM4E 2057/4885GAA 863/4885
US-10519504-B2 Methods for treatment of oncological disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers SHMT2, IDH2, GSR KMT2A 1977/4885KDM4E 2809/4885GAA 881/4885

“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.