SCHEMBL3351902

SCHEMBL3351902

Nc1ccccc1NC(=O)c1ccc(C2(c3nc(-c4cnc5ccccn45)cs3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.56
PKM P14618 6/20 0.48
HDAC2 Q92769 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL3355184 0.97 HDAC1 (0.55) HDAC1PKMHDAC2NPC1RAB9A
SCHEMBL196506 0.94 HDAC1 (0.53) HDAC1PKMHDAC2NPC1RAB9A
SCHEMBL3348238 0.92 HDAC1 (0.53) HDAC1PKMHDAC2HDAC3HDAC8
SCHEMBL3350253 0.88 PKM (0.49) HDAC1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL3357111 0.86 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL3349018 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC4
SCHEMBL3358237 0.84 PKM (0.47) HDAC1PKMHDAC2NPC1RAB9A
SCHEMBL196976 0.84 HDAC1 (0.56) HDAC1HDAC2SMN1; SMN2MAPTALDH1A1
SCHEMBL3356670 0.84 HDAC1 (0.66) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL3357410 0.84 HDAC1 (0.51) HDAC1HDAC2NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
CN-102123987-A Cycloalkylidene and heterocycloalkylidene histone deacetylase inhibitor compounds GILEAD COLORADO INC 2011-07-13 CN 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 HDAC1 1/4885PKM 1086/4885HDAC2 3/4885

“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.