SCHEMBL14804530

SCHEMBL14804530

CC(C)(C)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 5/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR174 Q9BXC1 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL14804540 0.85 ALDH1A1 (0.58) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL38659368 0.80 MAPT (0.50) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL25230614 0.79 MAPT (0.56) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL14800098 0.79 UBE2M (0.41) ALDH1A1LMNACYP2C9CYP2C19KMT2A
SCHEMBL14800100 0.79 UBE2M (0.41) ALDH1A1LMNACYP2C9CYP2C19KMT2A
SCHEMBL9978927 0.78 MAPT (0.61) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL30079352 0.77 CKS1B (0.46) ALDH1A1LMNAMAPTKMT2AL3MBTL1
SCHEMBL14800099 0.77 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C19CYP1A2
SCHEMBL12069769 0.77 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9CYP2C19
SCHEMBL9978999 0.77 KMT2A (0.47) ALDH1A1LMNAMAPTCYP2C9CYP2C19

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-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME CORP. 2013-03-28 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-20130079326-A1 N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 PDPK1, PDK1, PDK3 ALDH1A1 1910/4885LMNA 4238/4885MAPT 2982/4885

“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.