SCHEMBL13552191

SCHEMBL13552191

CCCCc1cccc(C(=N)N)c1OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALOX5 P09917 2/20 0.35
PTGS2 P35354 1/20 0.35
PRSS1 P07477 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL515984 0.84 ALOX5 (0.42) MEN1LMNACYP3A4KMT2AALOX5
SCHEMBL13554417 0.84 SCN8A (0.34) PRSS1SCN8A
SCHEMBL13552208 0.79 PRSS1 (0.36) PRSS1SMN1; SMN2
SCHEMBL13552194 0.78 LMNA (0.45) MEN1LMNACYP3A4KMT2ANR1I2
SCHEMBL12634440 0.77 SCN8A (0.39) MEN1LMNACYP3A4KMT2AALOX5
SCHEMBL5511463 0.76 CYP3A4 (0.45) MEN1LMNACYP3A4KMT2ANR1I2
SCHEMBL6685696 0.75 CYP3A4 (0.42) CYP3A4ALOX5PTGS2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11294295 0.75 CYP3A4 (0.44) MEN1LMNACYP3A4KMT2ANR1I2
SCHEMBL975210 0.74 PTPN11 (0.46) PPARG
SCHEMBL21247514 0.73 MEN1 (0.58) MEN1LMNACYP3A4KMT2ANR1I2

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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 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 (2 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 MEN1 1494/4885LMNA 1566/4885CYP3A4 810/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 MEN1 1001/4885LMNA 1432/4885CYP3A4 915/4885

“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.