SCHEMBL5113851

SCHEMBL5113851

CCN(CC)C(=O)n1c(C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 2/20 0.49
HPGD P15428 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
CCR2 P41597 1/20 0.38
GAA P10253 1/20 0.38
P2RX4 Q99571 1/20 0.38
NPC1 O15118 1/20 0.38
NPBWR1 P48145 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 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
SCHEMBL6750905 0.81 CYP19A1 (0.49) KMT2ACYP1A2HPGDMEN1RXFP1
SCHEMBL27628310 0.80 CYP19A1 (0.45) KMT2AHPGDMEN1RXFP1CYP19A1
SCHEMBL27909522 0.77 KMT2A (0.45) KMT2AHPGDMEN1RXFP1HTT
SCHEMBL6747189 0.77 MEN1 (0.45) KMT2ACYP1A2HPGDMEN1RXFP1
SCHEMBL6750910 0.74 GAA (0.46) KMT2ACYP1A2MEN1RXFP1TP53
SCHEMBL6490943 0.74 CYP19A1 (0.43) KMT2AHPGDMEN1RXFP1HTT
SCHEMBL5446082 0.74 MAPT (0.46) KMT2AHPGDMEN1RXFP1CYP19A1
SCHEMBL29540947 0.74 MAPT (0.46) KMT2AHPGDMEN1RXFP1CYP19A1
SCHEMBL6662432 0.74 KMT2A (0.45) KMT2ACYP1A2HPGDCYP2C9CYP2C19
SCHEMBL6480444 0.72 MAPT (0.42) KMT2AHPGDMEN1RXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KMT2A 986/4885CYP1A2 81/4885HPGD 2778/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KMT2A 986/4885CYP1A2 81/4885HPGD 2778/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KMT2A 986/4885CYP1A2 81/4885HPGD 2778/4885

“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.