SCHEMBL20176398

SCHEMBL20176398

COC(=O)c1ccc2nc(N3CCCCC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 3/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL27144759 0.87 MCHR1 (0.52) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL27138957 0.87 ALDH1A1 (0.58) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL31413480 0.87 ALDH1A1 (0.58) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL12302240 0.86 ALDH1A1 (0.56) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL1285834 0.86 SIRT2 (0.55) KDM4ENPC1RAB9ANPSR1TP53
SCHEMBL1643366 0.85 TP53 (0.61) TP53HRH3HDAC3HDAC2ALDH1A1
SCHEMBL10271626 0.85 SIRT2 (0.53) KDM4ENPC1RAB9ATP53HRH3
SCHEMBL12331989 0.84 HRH3 (0.53) KDM4ENPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL1643347 0.83 TP53 (0.60) TP53HRH3HDAC3HDAC2ALDH1A1
SCHEMBL1644303 0.83 HRH3 (0.53) KDM4ENPSR1TP53HRH3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 KDM4E 514/4885NPC1 512/4885RAB9A 2395/4885

“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.