SCHEMBL14940799

SCHEMBL14940799

CC(C)CNc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
HTT P42858 2/20 0.60
FGFR4 P22455 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MERTK Q12866 1/20 0.42
GSR P00390 3/20 0.41
TXNRD1 Q16881 3/20 0.41
DPP4 P27487 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGK1 P00558 1/20 0.40
RPS6KB2 Q9UBS0 2/20 0.39
ESR1 P03372 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL27246111 0.85 MAPT (0.62) MAPTHTTFGFR4ALDH1A1MAPK1
SCHEMBL29925033 0.83 MAPT (0.60) MAPTHTTFGFR4ALDH1A1MAPK1
SCHEMBL30154422 0.83 MAPT (0.67) MAPTHTTFGFR4MAPK1TDP1
SCHEMBL1978817 0.83 MAPT (0.67) MAPTHTTFGFR4MAPK1TDP1
SCHEMBL11355207 0.81 MAPT (0.61) MAPTHTTFGFR4ALDH1A1TDP1
SCHEMBL27211667 0.80 MAPT (0.68) MAPTHTTFGFR4CYP1A2CYP2C9
SCHEMBL28489676 0.80 TXNRD1 (0.53) MAPTHTTMAPK1GSRTXNRD1
SCHEMBL3995132 0.79 MAPT (0.62) MAPTHTTFGFR4ALDH1A1CYP1A2
SCHEMBL28946168 0.78 MAPT (0.60) MAPTHTTFGFR4MAPK1TDP1
SCHEMBL1242494 0.78 MAPT (0.59) MAPTHTTFGFR4MAPK1TDP1

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-20140302174-A1 Combination Therapy for Ovarian Cancer ELI LILLY AND COMPANY 2014-10-09 US disclosed
EP-2780011-A1 COMBINATION THERAPY FOR OVARIAN CANCER Eli Lilly and Company (US) 2014-09-24 EP disclosed
WO-2013070460-A1 COMBINATION THERAPY FOR OVARIAN CANCER ELI LILLY AND COMPANY (US) 2013-05-16 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-20140302174-A1 Combination Therapy for Ovarian Cancer PAICS, FOLR2, TYMP MAPT 4672/4885HTT 2812/4885FGFR4 389/4885

“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.