SCHEMBL10148452

SCHEMBL10148452

C=C1COC(c2ccc(C(=O)O)cc2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7462261 0.69 LSS (0.47) NPC1RAB9ATP53TSHRBCL2L1
SCHEMBL600184 0.69 LMNA (0.47) NPC1RAB9AHPGDRARBKDM4E
SCHEMBL29958843 0.69 TSHR (0.75) TP53TSHRBCL2L1BADCA12
SCHEMBL2637326 0.66 TSHR (0.80) TP53TSHRBCL2L1BADCA12
SCHEMBL14018385 0.66 TSHR (0.80) TP53TSHRBCL2L1BADCA12
SCHEMBL69873 0.66 TSHR (0.80) TP53TSHRBCL2L1BADCA12
Terephthalic Acid SCHEMBL9577834 0.66 TSHR (0.80) TP53TSHRBCL2L1BADCA12
Terephthalic Acid SCHEMBL31326262 0.66 TSHR (0.92) TP53TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL30475401 0.66 TSHR (0.92) TP53TSHRCA12CA1CA2
Terephthalic Acid SCHEMBL28254982 0.66 TSHR (0.92) TP53TSHRBCL2L1BADCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 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-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 NPC1 2650/4885RAB9A 590/4885TP53 4320/4885

“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.