SCHEMBL5553153

SCHEMBL5553153

CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.55
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ADAMTS4 O75173 1/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
PNPLA2 Q96AD5 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 2/20 0.49
NQO2 P16083 2/20 0.49
GRIA2 P42262 2/20 0.48
KCNH2 Q12809 1/20 0.48
PIP4K2A P48426 1/20 0.48
PIP4K2B P78356 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGIR P43119 1/20 0.47

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
SCHEMBL12919978 0.85 CYP17A1 (0.60) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL8577619 0.80 SMN1; SMN2 (0.70) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL3786463 0.78 NQO2 (0.73) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL13986211 0.78 NQO2 (0.55) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL12999591 0.77 NPC1 (0.69) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL5553122 0.76 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL4654909 0.76 ALDH1A1 (0.67) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL14384612 0.76 CNR1 (0.71) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL969807 0.76 RAB9A (0.65) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1
SCHEMBL1749196 0.75 MEN1 (0.59) CYP17A1CYP11B1CYP11B2ADAMTS4HSD17B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP claimed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US disclosed
EP-1527077-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-05-04 EP disclosed
WO-2004016614-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-02-26 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 CYP17A1 1841/4885CYP11B1 835/4885CYP11B2 745/4885

“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.