SCHEMBL14918550

SCHEMBL14918550

CN(C)C(=O)c1ccc(NNC(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 10/20 0.42
▸ CSNK2A1 P68400 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ FGFR3 P22607 1/20 0.34

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
SCHEMBL28294216 0.84 P4HTM (0.50) P4HTMCSNK2A1PIK3CDPIK3CAPIK3CB
SCHEMBL19156381 0.80 P4HTM (0.42) P4HTMCSNK2A1PIK3CDPIK3CAPIK3CB
SCHEMBL25041234 0.76 ADRA2A (0.44) P4HTMCSNK2A1PIK3CDPIK3CAPIK3CB
SCHEMBL1976172 0.74 PIK3CD (0.43) P4HTMPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL7872383 0.74 TDP1 (0.44) P4HTMPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL211416 0.71 P4HTM (0.66) P4HTMCSNK2A1MAPTALDH1A1
SCHEMBL27706997 0.71 FDFT1 (0.47) P4HTMMAPTALDH1A1GAASMN1; SMN2
SCHEMBL20934803 0.71 NAMPT (0.47) P4HTM
SCHEMBL2669419 0.70 PIK3CD (0.47) P4HTMCSNK2A1PIK3CDPIK3CAPIK3CB
SCHEMBL27810408 0.70 ALOX5 (0.38) P4HTMALDH1A1GAANPC1RAB9A

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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS ELI LILLY AND COMPANY 2014-09-18 — — US disclosed
WO-2013066640-A1 SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS ELI LILLY AND COMPANY (US) 2013-05-10 — — 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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS RARB, RARA, RARG P4HTM 1509/4885CSNK2A1 862/4885PIK3CD 4320/4885

“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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