SCHEMBL4380509

SCHEMBL4380509

NNc1ncc(C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HCRTR1 O43613 2/20 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
SCHEMBL29896020 0.81 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL4368849 0.81 AGBL2 (0.44) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL28852762 0.81 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL1833798 0.79 ALDH1A1 (0.65) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL23098492 0.78 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL968702 0.75 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL29572771 0.75 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL20582010 0.75 SMN1; SMN2 (0.48) ALDH1A1GAASMN1; SMN2TDP1MEN1
SCHEMBL119201 0.74 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL12685546 0.74 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 — — US disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 — — EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 — — US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 — — WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 — — 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 ALDH1A1 628/4885GAA 1466/4885SMN1; SMN2 3412/4885

“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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