SCHEMBL198016

SCHEMBL198016

O=C(NO)c1ccc(C2(c3nc(-c4cnc5ccccn45)cs3)CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.45
HDAC1 Q13547 7/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KCNH2 Q12809 3/20 0.36
IGF1R P08069 2/20 0.35

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
SCHEMBL3350253 0.94 PKM (0.49) PKMHDAC1HDAC6
SCHEMBL3358237 0.92 PKM (0.47) PKMHDAC1HDAC3HDAC2HDAC6
SCHEMBL196506 0.89 HDAC1 (0.53) PKMHDAC1HDAC3HDAC2HDAC6
SCHEMBL3353423 0.85 PKM (0.47) PKMHDAC1HDAC3HDAC6HDAC7
SCHEMBL197923 0.84 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL197443 0.83 CDK2 (0.44) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL198039 0.83 KCNH2 (0.35) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL199233 0.83 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL198526 0.82 HDAC6 (0.39) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL3351902 0.82 HDAC1 (0.56) PKMHDAC1HDAC3HDAC2HDAC6

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 PKM 1086/4885HDAC1 1/4885HDAC3 4/4885

“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.