SCHEMBL2965072

SCHEMBL2965072

CCc1c(C(=O)NN)ccc(OCc2ccccc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
CLCN2 P51788 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MCL1 Q07820 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.44
SGMS2 Q8NHU3 3/20 0.44
MAPK14 Q16539 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 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
SCHEMBL1843333 0.87 CLCN2 (0.55) CHRM4CHRM3CLCN2MCL1MAPT
SCHEMBL2396534 0.86 MAPT (0.55) HDAC6MAPTALDH1A1KDM4ECYP2C9
SCHEMBL23067188 0.81 HDAC6 (0.51) CHRM4CHRM3CLCN2HDAC6MCL1
SCHEMBL29557588 0.81 HDAC6 (0.51) CHRM4CHRM3CLCN2HDAC6MCL1
SCHEMBL28731423 0.80 HDAC6 (0.57) CHRM4CHRM3CLCN2HDAC6MAPT
SCHEMBL21447041 0.76 NPC1 (0.58) HDAC6MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17041323 0.76 KMT2A (0.65) HDAC6ALDH1A1CYP2C9KMT2ASGMS2
SCHEMBL22568217 0.75 NPC1 (0.56) HDAC6MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6748166 0.75 SGMS2 (0.72) MAPTALDH1A1L3MBTL1KMT2ASGMS2
SCHEMBL11819948 0.75 SMN1; SMN2 (0.54) CHRM4CHRM3CLCN2MCL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 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 (1 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-20090221712-A1 MANDELIC HYDRAZIDES HK1, GLS, AGK CHRM4 660/4885CHRM3 541/4885CLCN2 1746/4885

“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.