SCHEMBL3537112

SCHEMBL3537112

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
MAPK1 P28482 4/20 0.68
ALDH1A1 P00352 14/20 0.67
MAPT P10636 10/20 0.67
LMNA P02545 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.65
PKM P14618 1/20 0.65
ALDH1A3 P47895 1/20 0.61
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 3/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL7805734 1.00 GAA (0.69) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL7809573 0.98 ALDH1A1 (0.67) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL3537059 0.87 ALDH1A1 (0.68) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL7809589 0.87 ALDH1A1 (0.68) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL25387575 0.86 MAPT (0.56) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL7800552 0.85 ALDH1A1 (0.69) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL14377101 0.84 MAPT (0.57) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL21275165 0.84 SMN1; SMN2 (0.59) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL28719920 0.84 ALDH1A1 (0.50) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL690222 0.84 MAPT (0.63) GAAMAPK1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-7705042-B2 Class of arylamide compounds useful as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
US-7705042-B2 Class of arylamide compounds useful as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
US-7705042-B2 Class of arylamide compounds useful as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
EP-1807407-B1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 EP disclosed
EP-1807407-B1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 EP disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 US disclosed
US-20060100201-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
US-RE30798-E BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE CLAIROL INCORPORATED (US) 1981-11-17 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 (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-20060100201-A1 Inhibitors of c-fms kinase MUSK, FLT3, FES GAA 3696/4885MAPK1 280/4885ALDH1A1 4796/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 GAA 4430/4885MAPK1 817/4885ALDH1A1 26/4885
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 GAA 568/4885MAPK1 3335/4885ALDH1A1 3201/4885

“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.