SCHEMBL2348837

SCHEMBL2348837

NCC1(O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.39
CHRM4 P08173 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
HTR2A P28223 1/20 0.37
KDM1A O60341 1/20 0.37
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.36

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
Hydrochloric Acid SCHEMBL2348833 0.99 KMT2A (0.46) KMT2AFABP5FABP7POLBTSHR
SCHEMBL29192668 0.86 KMT2A (0.43) KMT2AFABP5FABP7POLBTSHR
SCHEMBL20699447 0.86 KMT2A (0.46) KMT2AFABP5FABP7POLBTSHR
SCHEMBL2382024 0.84 KMT2A (0.47) KMT2AFABP5FABP7POLBTSHR
SCHEMBL16004761 0.84 POLB (0.46) KMT2AFABP5FABP7POLBTSHR
SCHEMBL13327274 0.84 POLB (0.52) KMT2AFABP5FABP7POLBTSHR
SCHEMBL22397770 0.84 POLB (0.52) KMT2AFABP5FABP7POLBTSHR
Hydrochloric Acid SCHEMBL2345547 0.83 KMT2A (0.46) KMT2AFABP5FABP7POLBTSHR
SCHEMBL28864147 0.82 EPHX2 (0.44) KMT2AFABP5FABP7POLBTSHR
SCHEMBL27143217 0.82 KMT2A (0.43) KMT2AFABP5FABP7POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 KMT2A 4202/4885FABP5 1563/4885FABP7 2218/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 KMT2A 4080/4885FABP5 1798/4885FABP7 592/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 KMT2A 4080/4885FABP5 1798/4885FABP7 592/4885

“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.