SCHEMBL768201

SCHEMBL768201

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACKR3 P25106 1/20 0.36
APP P05067 2/20 0.36
PIK3CA P42336 3/20 0.35
MTOR P42345 3/20 0.35
CTSG P08311 1/20 0.35
HTT P42858 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NQO2 P16083 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL380805 0.85 CHRM2 (0.42) TMEM97SIGMAR1APPCTSGHSP90AA1
SCHEMBL381330 0.84 HDAC6 (0.42) HDAC6HDAC3HDAC1TMEM97SIGMAR1
SCHEMBL379907 0.81 HDAC6 (0.42) HDAC6TMEM97SIGMAR1HTT
SCHEMBL380775 0.79 HDAC3 (0.46) HDAC6HDAC3HDAC1
SCHEMBL767860 0.78 HDAC1 (0.48) HDAC6HDAC3HDAC1
SCHEMBL356822 0.72 KMT2A (0.42) PIK3CAMTOR
SCHEMBL2993559 0.71 HTT (0.56) TMEM97SIGMAR1ACKR3HTTCHEK1
SCHEMBL21814958 0.71 RAB9A (0.45) HDAC6HDAC3HDAC1
SCHEMBL381759 0.70 TSHR (0.33) HDAC6HDAC3HDAC1APP
SCHEMBL380427 0.70 HDAC6 (0.42) HDAC6HDAC3HDAC1TMEM97SIGMAR1

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-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

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 407/4885HDAC3 202/4885HDAC1 414/4885

“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.