SCHEMBL1608671

SCHEMBL1608671

Cc1cc(C)c(N=CNc2c(F)cccc2F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 14/20 0.38
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ACHE P22303 1/20 0.31

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
SCHEMBL1608125 0.81 RAPGEF4 (0.44) RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL1608123 0.81 RAPGEF4 (0.44) RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL18966843 0.81 ALDH1A1 (0.34) ALDH1A1KMT2A
SCHEMBL20584492 0.81 ALDH1A1 (0.34) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1608097 0.79 RAPGEF4 (0.43) RAPGEF4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1608098 0.79 RAPGEF4 (0.43) RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL22753256 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9501188 0.73 GRIN2D (0.43) ALDH1A1KMT2A
SCHEMBL9501612 0.73 GRIN2D (0.43) ALDH1A1KMT2A
SCHEMBL11856863 0.69 RAPGEF4 (0.37) RAPGEF4ALDH1A1

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
EP-2217065-B1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS CALIFORNIA INST OF TECHN (US) 2016-10-12 — — EP disclosed
US-8703965-B2 Preparation of saturated imidazolinium salts and related compounds MATERIA, INC. (US) 2014-04-22 — — US disclosed
US-20110087032-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS MATERIA, INC. (US) 2011-04-14 — — 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-20110087032-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS NISCH, INF2, DDT RAPGEF4 1358/4885ALDH1A1 4255/4885GAA 2603/4885

“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.

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