SCHEMBL4695652

SCHEMBL4695652

CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
RORC P51449 7/20 0.63
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.60
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 2/20 0.60
PPARG P37231 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL3099561 0.88 RAB9A (0.62) KMT2AMAPTSMN1; SMN2TP53GAA
SCHEMBL20051726 0.86 KMT2A (0.60) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL20051373 0.86 KMT2A (0.63) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL13753352 0.85 CYP3A4 (0.51) KMT2AMEN1RORCMAPTCYP3A4
SCHEMBL7597169 0.84 MAPT (0.67) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL13753896 0.84 L3MBTL1 (0.57) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8947103 0.83 KMT2A (0.60) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL4361418 0.83 RORC (0.65) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL20051330 0.83 KMT2A (0.60) KMT2AMEN1RORCMAPTSMN1; SMN2
SCHEMBL7563977 0.83 MAPT (0.66) KMT2AMEN1RORCMAPTSMN1; SMN2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053227-B1 PPAR-GAMMA MODULATORS AMGEN INC (US) 2008-11-05 EP disclosed
US-7439242-B2 PPARγ modulators AMGEN INC. (US) 2008-10-21 US disclosed
US-6620827-B2 Peroxisome proliferator-activated receptors-gamma to control lipid metabolism ane obesity; antidiabetic, -inflammatory and -arthritic agents; non-insulin dependent diabetes; antilipemic and -cholesterol agents TULARIK INC. 2003-09-16 US disclosed
US-20030088103-A1 PPARgamma modulators TULARIK INC. (US) 2003-05-08 US disclosed
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
US-20010027200-A1 PPARgamma modulators TULARIK INC. 2001-10-04 US disclosed
US-6252078-B1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-06-26 US disclosed
US-6248894-B1 SUBSTITUTED PYRROLES MONSANTO COMPANY 2001-06-19 US disclosed
US-5998466-A PREPLANTING MONSANTO COMPANY (US) 1999-12-07 US disclosed
WO-1999038845-A1 PPAR-GAMMA MODULATORS TULARIK INC. (US) 1999-08-05 WO disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 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-20030088103-A1 PPARgamma modulators PPARG, PPARA, PPARD KMT2A 3971/4885MEN1 4878/4885RORC 127/4885
US-20010046975-A1 Fungicides for the control of take-all disease of plants CNPY3, NAT1, CBR3 KMT2A 3561/4885MEN1 1979/4885RORC 3609/4885
US-20010027200-A1 PPARgamma modulators PPARG, PPARA, PPARD KMT2A 3971/4885MEN1 4878/4885RORC 127/4885

“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.