SCHEMBL9968320

SCHEMBL9968320

COC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.48
PDE10A Q9Y233 1/20 0.44
CKS1B P61024 4/20 0.42
SKP1 P63208 4/20 0.42
SKP2 Q13309 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FASN P49327 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL9931867 0.91 SMO (0.44) SMOCKS1BSKP1SKP2MEN1
SCHEMBL9968314 0.90 CKS1B (0.50) SMOPDE10ACKS1BSKP1SKP2
SCHEMBL9931742 0.83 MEN1 (0.50) SMOPDE10AMEN1KMT2AITGB2
SCHEMBL9968315 0.83 SMO (0.58) SMOPDE10AMEN1KMT2A
SCHEMBL9968433 0.83 SMO (0.52) SMOPDE10ACKS1BSKP1SKP2
SCHEMBL9968331 0.83 SMO (0.64) SMO
SCHEMBL9932994 0.82 MEN1 (0.46) SMOMEN1KMT2AHDAC1HDAC8
SCHEMBL9968316 0.82 MEN1 (0.51) PDE10AMEN1KMT2ATP53KDM4E
SCHEMBL9932266 0.81 MEN1 (0.58) MEN1KMT2ATP53RXFP1KDM4E
SCHEMBL9968480 0.79 LRRK2 (0.47) SMOPDE10AMEN1KMT2ATP53

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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885PDE10A 1879/4885CKS1B 187/4885

“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.