SCHEMBL6759896

SCHEMBL6759896

O=C(Nc1cnc(NCc2ccccn2)nc1)c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTR2C P28335 1/20 0.46
VNN1 O95497 2/20 0.43
PARP14 Q460N5 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ICOSLG O75144 3/20 0.39
ICOS Q9Y6W8 3/20 0.39
CHUK O15111 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6756672 0.89 HTR2C (0.48) HDAC3HDAC1HDAC2HDAC6HTR2C
SCHEMBL6754353 0.86 MAPT (0.42) HTR2CPARP14AURKARPS6KB1ICOSLG
SCHEMBL6756556 0.81 HTR2C (0.71) HTR2CPARP14
SCHEMBL6759807 0.79 KMT2A (0.43) HDAC1HDAC6HTR2CAURKARPS6KB1
SCHEMBL148468 0.74 ALDH1A1 (0.58) PARP14KDM4EHSD17B10NPC1RAB9A
SCHEMBL6755763 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL6756593 0.73 RAB9A (0.44) KDM4EAURKARPS6KB1NPC1RAB9A
SCHEMBL148606 0.73 PABPC1 (0.65) HDAC6KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6754316 0.72 NPC1 (0.45) HTR2CHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL149086 0.72 MAPT (0.70) HDAC6KDM4EHSD17B10RAB9ASMN1; SMN2

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 HDAC3 24/4885HDAC1 12/4885HDAC2 16/4885

“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.