SCHEMBL14288335

SCHEMBL14288335

CC(C)c1ccc2nc(N(C)C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.53
▸ KDM1A O60341 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PSMB5 P28074 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ APP P05067 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ UGT2B7 P16662 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ MET P08581 1/20 0.34

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
SCHEMBL14288347 0.85 EGLN1 (0.39) NCF1KDM1ANPC1SCN4ARAB9A
SCHEMBL14288348 0.84 MCHR1 (0.42) NCF1KDM1ANPC1SCN4ARAB9A
SCHEMBL14288336 0.83 CRHR1 (0.43) NCF1NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL10122186 0.77 NPC1 (0.43) KDM1ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL8275784 0.77 CYP1A2 (0.59) NCF1NPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL21195656 0.77 NPC1 (0.43) KDM1ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL889349 0.77 NPC1 (0.43) KDM1ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL31143623 0.77 CYP1A2 (0.59) NCF1NPC1RAB9ASMN1; SMN2PSMB5
SCHEMBL1102403 0.77 CYP1A2 (0.59) KDM1ANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL12938118 0.76 NPC1 (0.48) KDM1ANPC1SCN4ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 — — 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-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 NCF1 591/4885KDM1A 98/4885NPC1 590/4885

“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.

Send feedback