SCHEMBL12419484

SCHEMBL12419484

CC(=O)CNc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GRK2 P25098 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAPT P10636 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28326337 0.82 MAPT (0.47) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL12378828 0.81 MEN1 (0.52) GAAKMT2AMEN1ALDH1A1GRK2
SCHEMBL186867 0.81 ALDH1A1 (0.47) GAAKMT2AMEN1ALDH1A1GRK2
SCHEMBL9419326 0.81 MAPT (0.54) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL4582345 0.81 MAPT (0.54) GAAKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL5967153 0.81 ALDH1A1 (0.47) GAAKMT2AMEN1ALDH1A1GRK2
SCHEMBL4142658 0.80 ALDH1A1 (0.51) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL28326338 0.80 GAA (0.49) GAAKMT2AMEN1POLBALDH1A1
Water SCHEMBL11637714 0.79 MAPT (0.52) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL22292620 0.79 CA1 (0.44) KMT2AMEN1ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
CN-102936262-A Preparation method for imipenem medicine intermediate 4AA ASYMCHEM LAB TIANJIN CO LTD 2013-02-20 CN disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S GAA 3413/4885KMT2A 2564/4885MEN1 3484/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 GAA 4495/4885KMT2A 922/4885MEN1 4666/4885
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 GAA 3740/4885KMT2A 2355/4885MEN1 2609/4885

“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.