SCHEMBL5098076

SCHEMBL5098076

CC(=O)Nc1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
MAPK1 P28482 2/20 0.62
ALDH1A1 P00352 12/20 0.58
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
CYP3A4 P08684 2/20 0.55
GFER P55789 1/20 0.55
HTT P42858 1/20 0.53
THRB P10828 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL7805753 1.00 MAPT (0.62) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL7808036 0.99 MAPT (0.64) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL7805747 0.87 MAPT (0.60) MAPTMAPK1ALDH1A1CYP2C19L3MBTL1
SCHEMBL7800600 0.87 MAPT (0.60) MAPTMAPK1ALDH1A1LMNAPOLB
SCHEMBL3536101 0.83 ALDH1A1 (0.64) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL26482569 0.82 ALDH1A1 (0.61) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL7045400 0.80 ALDH1A1 (0.53) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL5098532 0.79 CYP1A2 (0.59) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL21163646 0.79 MAPT (0.59) MAPTMAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL11526803 0.78 HTT (0.71) MAPTMAPK1ALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427683-B2 c-fms kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-23 US disclosed
US-20050131022-A1 C-fms kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US disclosed
US-20010052156-A1 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-12-20 US disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
EP-0910332-A2 DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-04-28 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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 (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-20050131022-A1 C-fms kinase inhibitors FLT3, FES, FGR MAPT 296/4885MAPK1 426/4885ALDH1A1 4568/4885
US-20010052156-A1 DYES KRT18, OPRD1, HTR1D MAPT 4151/4885MAPK1 725/4885ALDH1A1 86/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 MAPT 3633/4885MAPK1 817/4885ALDH1A1 26/4885

“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.