SCHEMBL17072356

SCHEMBL17072356

O=C(NO)c1cnc(Nc2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 7/20 0.56
▸ NCOR1 O75376 2/20 0.56
▸ HDAC6 Q9UBN7 8/20 0.54
▸ HCAR3 P49019 1/20 0.51
▸ MAPK8 P45983 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ HDAC1 Q13547 8/20 0.46
▸ HDAC8 Q9BY41 6/20 0.46
▸ HDAC4 P56524 4/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ HDAC2 Q92769 4/20 0.43

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
SCHEMBL11792553 0.76 HDAC6 (0.48) HDAC3HDAC6HDAC1HDAC8HDAC4
SCHEMBL17072355 0.75 NPC1 (0.55) HDAC3NCOR1HCAR3MEN1LMNA
SCHEMBL30834279 0.73 RAB9A (0.73) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL3698385 0.70 HDAC6 (1.00) HDAC3HDAC6HDAC1HDAC2
SCHEMBL18434189 0.68 PDGFRB (0.53) HCAR3MAPK8MAPK10MEN1LMNA
SCHEMBL12723128 0.68 HIF1A (0.61) HDAC3HDAC6HDAC1HDAC8HDAC4
SCHEMBL71308 0.68 HCAR3 (1.00) HCAR3MEN1LMNAMAPTKMT2A
SCHEMBL13187689 0.68 HDAC6 (0.50) HDAC3HDAC6MAPK8HDAC1HDAC8
SCHEMBL9076442 0.68 HCAR3 (0.73) HDAC6HCAR3HDAC8MEN1MAPT
SCHEMBL19074726 0.67 NPC1 (0.63) LMNAMAPTNPC1RAB9AKDM4E

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-20150250786-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-10 — — 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-20150250786-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS PROTEIN DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF HDAC6, HDAC1, HDAC5 HDAC3 5/4885NCOR1 949/4885HDAC6 1/4885

“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