SCHEMBL463126

SCHEMBL463126

COC(=O)c1cc(Br)c(N)c(NCC(C)(C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
MAPK10 P53779 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL29687460 0.80 PTGER4 (0.49) NOTUMALDH1A1SMN1; SMN2CA12CA1
SCHEMBL24455300 0.80 PTGER4 (0.49) NOTUMALDH1A1SMN1; SMN2CA12CA1
SCHEMBL25392271 0.78 NOTUM (0.43) NOTUMALDH1A1CA12CA1CA2
SCHEMBL462390 0.78 LNPEP (0.50) ALDH1A1SMN1; SMN2LOXL2KDM4EHSD17B10
SCHEMBL11425376 0.77 CA12 (0.52) NOTUMALDH1A1CA12CA1CA2
SCHEMBL462011 0.77 FPR2 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL18739081 0.76 LMNA (0.44) NOTUMALDH1A1SMN1; SMN2CA12CA1
SCHEMBL21310995 0.75 GAA (0.57) ALDH1A1SMN1; SMN2LOXL2KDM4EHSD17B10
SCHEMBL24455263 0.74 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL29640529 0.74 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT

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
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 NOTUM 4636/4885MAPK10 2299/4885ALDH1A1 2538/4885

“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.