SCHEMBL271899

SCHEMBL271899

CCCN(C(=O)CBr)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PAX8 Q06710 2/20 0.54
JAK2 O60674 1/20 0.54
ALDH1A1 P00352 2/20 0.52
GLA P06280 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL16627492 0.86 TP53 (0.70) TP53NPC1RAB9APAX8JAK2
SCHEMBL3138023 0.85 ALDH1A1 (0.66) TP53NPC1RAB9APAX8JAK2
SCHEMBL2069920 0.85 TP53 (0.68) TP53NPC1RAB9APAX8JAK2
SCHEMBL14230004 0.84 TP53 (0.89) TP53NPC1RAB9APAX8JAK2
SCHEMBL11370872 0.84 TP53 (0.66) TP53NPC1RAB9APAX8JAK2
SCHEMBL4757416 0.82 TP53 (0.64) TP53NPC1RAB9APAX8JAK2
SCHEMBL4160577 0.82 RAB9A (0.77) TP53NPC1RAB9APAX8JAK2
SCHEMBL10960593 0.81 ALDH1A1 (0.70) TP53NPC1RAB9APAX8JAK2
SCHEMBL9614163 0.81 ALDH1A1 (0.48) TP53NPC1RAB9APAX8JAK2
SCHEMBL164621 0.81 TP53 (0.61) TP53NPC1RAB9APAX8JAK2

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-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 TP53 4852/4885NPC1 1723/4885RAB9A 4027/4885

“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.