SCHEMBL451898

SCHEMBL451898

Cc1ccc(-c2cccc3c2nnn3C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.37
MGAM O43451 3/20 0.37
AMY1A P0DUB6 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
NR1H4 Q96RI1 3/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SRC P12931 1/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
KIT P10721 2/20 0.35
KDR P35968 2/20 0.35
FLT3 P36888 2/20 0.35
PPARG P37231 1/20 0.35
MCL1 Q07820 1/20 0.35
BAD Q92934 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
SCHEMBL2032632 0.79 GAA (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL16600359 0.72 GAA (0.39) GAAMGAMAMY1ASIMGAM2
SCHEMBL15973447 0.68 MGAM (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL2050918 0.67 SLC9A1 (0.48) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL4054573 0.66 KCNMA1 (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL16211069 0.66 ALDH1A1 (0.46) GAAKMT2ANPC1RAB9AMCL1
Methyl Alcohol SCHEMBL28226904 0.65 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL4737248 0.65 ALDH1A1 (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.64 GAA (0.71) GAAMGAMAMY1ASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.63 GAA (0.69) GAAMGAMAMY1ASIMGAM2

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 GAA 4548/4885MGAM 4411/4885AMY1A 4475/4885

“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.