SCHEMBL4236801

SCHEMBL4236801

CCS(=O)(=O)N1CCc2n[nH]c(NC(=O)c3cccc(OC)c3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
QSOX1 O00391 1/20 0.42

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
SCHEMBL2915955 0.92 MAPT (0.52) NPC1RAB9ACYP1A2CYP2D6HPGD
SCHEMBL2922427 0.91 ALDH1A1 (0.53) NPC1RAB9ACYP1A2CYP2D6HPGD
SCHEMBL2919272 0.85 SMN1; SMN2 (0.49) NPC1RAB9ACYP1A2CYP2D6HPGD
SCHEMBL2913785 0.85 MAPT (0.53) NPC1RAB9ASMN1; SMN2KMT2ARXFP1
SCHEMBL2917687 0.84 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2921035 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL2920217 0.83 POLB (0.50) NPC1RAB9ACYP1A2CYP2D6HPGD
SCHEMBL2924736 0.83 KMT2A (0.47) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL2925935 0.80 KMT2A (0.48) NPC1RAB9ACYP1A2CYP2D6HPGD
SCHEMBL2913741 0.80 KMT2A (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 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-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NPC1 1048/4885RAB9A 1491/4885CYP1A2 1707/4885

“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.