SCHEMBL7489708

SCHEMBL7489708

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1OCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MGMT P16455 1/20 0.39
PARP10 Q53GL7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
KLF5 Q13887 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.37
SLC1A5 Q15758 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
SCHEMBL27587741 0.86 CYP19A1 (0.51) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL27587733 0.82 MAPT (0.48) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL28752712 0.79 KMT2A (0.43) ALDH1A1KMT2AMEN1RAB9APKM
SCHEMBL27605673 0.78 MAPT (0.44) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL27587711 0.77 GPR35 (0.51) ALDH1A1KMT2ACYP3A4LMNAMAPT
SCHEMBL6823646 0.76 KMT2A (0.49) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL27587709 0.76 TDP1 (0.46) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL27605657 0.75 GPR35 (0.49) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL7549892 0.75 KMT2A (0.57) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL27587704 0.74 GPR35 (0.42) ALDH1A1KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 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 (1 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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN ALDH1A1 2239/4885KMT2A 3978/4885MEN1 4754/4885

“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.