SCHEMBL381330

SCHEMBL381330

CN(CCCN(C)C(=O)c1ccc(N)cc1F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
PIK3CA P42336 6/20 0.41
MTOR P42345 6/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MAPK1 P28482 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
HTR2C P28335 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL768201 0.84 HDAC6 (0.44) HDAC6PIK3CAMTORHDAC3HDAC1
SCHEMBL380804 0.84 CHRM2 (0.48) PIK3CAMTORCHRM2CHRM3MAOA
SCHEMBL379906 0.80 ALDH1A1 (0.43) HDAC6MAPTALDH1A1CYP3A4GAA
SCHEMBL379905 0.80 ALDH1A1 (0.43) HDAC6MAPTALDH1A1CYP3A4GAA
SCHEMBL356822 0.78 KMT2A (0.42) PIK3CAMTORMAPTALDH1A1CYP3A4
SCHEMBL19630479 0.77 ALDH1A1 (0.48) MAPK1MAOAALDH1A1KDM4EPTPN1
SCHEMBL380504 0.76 HDAC1 (0.47) HDAC6HDAC3HDAC1ALDH1A1GAA
SCHEMBL380774 0.75 HDAC1 (0.45) HDAC6HDAC3HDAC1MAPK1CHRM2
SCHEMBL13666711 0.74 ALOX5AP (0.43) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL2645212 0.73 PIK3CA (0.45) PIK3CAMTORMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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 (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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HDAC6 407/4885PIK3CA 2802/4885MTOR 1774/4885

“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.