SCHEMBL1753441

SCHEMBL1753441

CNCCCNC(=O)c1cccnc1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
MAPK8 P45983 1/20 0.46

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
SCHEMBL6360387 0.85 GAA (0.57) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL8286971 0.83 GAA (0.56) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL23136224 0.81 GAA (0.60) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL10073072 0.80 KMT2A (0.63) GAAMAPTKMT2AMEN1MAPK8
SCHEMBL11812817 0.80 KMT2A (0.63) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL1515916 0.79 GAA (0.53) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL6433174 0.79 HPGD (0.56) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL30623889 0.78 ALDH1A1 (0.66) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL20837329 0.78 ALDH1A1 (0.66) GAAMAPTHPGDLMNASMN1; SMN2
SCHEMBL5948114 0.78 MAPT (0.66) GAAMAPTHPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158783-B2 MTP inhibiting tetrahydro-naphthalene-1-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 US disclosed
US-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-21 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-20100016291-A1 MTP INHIBITING TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID DERIVATIVES PNLIP, APOB, MTPN GAA 398/4885MAPT 2841/4885HPGD 320/4885

“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.