SCHEMBL193237

SCHEMBL193237

CCC(C)(C#N)Nc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PDE4A P27815 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
DHODH Q02127 2/20 0.33
GAA P10253 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL1723351 0.85 MAPT (0.41) MAPTALDH1A1CYP2A6HPGDNPC1
SCHEMBL1715946 0.78 ALDH1A1 (0.39) MAPTPDE4AALDH1A1CYP2A6HPGD
SCHEMBL21058261 0.75 MAPT (0.50) MAPTALDH1A1HPGDNPC1NPSR1
SCHEMBL5983235 0.74 NPC1 (0.48) MAPTALDH1A1HPGDNPC1RAB9A
Ammonia Solution, Strong SCHEMBL9364517 0.74 MAPT (0.43) MAPTPDE4AALDH1A1HPGDNPC1
SCHEMBL1715904 0.72 ALDH1A1 (0.39) MAPTALDH1A1CYP2A6HPGDNPC1
Hydrochloric Acid SCHEMBL11720377 0.69 NPC1 (0.44) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL18063500 0.69 HPGD (0.56) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL13091135 0.68 GAA (0.45) MAPTALDH1A1HPGDNPC1NPSR1
SCHEMBL1248173 0.68 TDP1 (0.44) MAPTHPGDNPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022644-A1 NOVEL N-PHENYLACETAMIDE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEACH & DEVELOPMENT 2013-01-24 US disclosed
EP-2401261-A1 N-PHENYLACETAMIDE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1 AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP disclosed
WO-2010097467-A1 N-PHENYLACETAMIDE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1 AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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-20130022644-A1 NOVEL N-PHENYLACETAMIDE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, NAT1 MAPT 1319/4885PDE4A 1635/4885JAK3 4372/4885

“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.