SCHEMBL4046727

SCHEMBL4046727

Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP19A1 P11511 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOB P27338 1/20 0.38
RORC P51449 1/20 0.38
NOS1 P29475 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL11534295 0.87 KMT2A (0.66) KMT2AMEN1ALDH1A1CYP19A1RORC
SCHEMBL11531547 0.81 KMT2A (0.77) KMT2AMEN1CYP19A1CYP3A4RORC
SCHEMBL8243325 0.80 KMT2A (0.57) KMT2AMEN1ALDH1A1CYP19A1RORC
SCHEMBL4055564 0.80 KMT2A (0.57) KMT2AMEN1ALDH1A1CYP19A1RORC
SCHEMBL4054111 0.75 FNTA (0.59) FNTAFNTBRORC
SCHEMBL4905689 0.74 KMT2A (0.53) KMT2AMEN1ALDH1A1CYP19A1RORC
SCHEMBL4909571 0.70 KMT2A (0.48) KMT2ALMNAMEN1ALDH1A1CYP19A1
Methyl Alcohol SCHEMBL27437903 0.69 CYP1A2 (0.60) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL27915998 0.67 CYP1A2 (0.58) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL2724772 0.67 CYP1A2 (0.67) KMT2ALMNAMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG KMT2A 2932/4885LMNA 1193/4885MEN1 4443/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG KMT2A 3958/4885LMNA 1615/4885MEN1 3649/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG KMT2A 3811/4885LMNA 1674/4885MEN1 3705/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG KMT2A 3958/4885LMNA 1615/4885MEN1 3649/4885

“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.