SCHEMBL2835880

SCHEMBL2835880

O=C(Nc1ccc([N+](=O)[O-])cc1O)NC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.66
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
KCNMA1 Q12791 1/20 0.51
ALDH1A1 P00352 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL7860753 0.84 CXCR1 (0.54) EPHX1RAB9ANPC1CXCR1CXCR2
SCHEMBL7860746 0.84 CXCR1 (0.54) EPHX1RAB9ANPC1CXCR1CXCR2
SCHEMBL7860750 0.84 CXCR1 (0.54) EPHX1RAB9ANPC1CXCR1CXCR2
SCHEMBL30878771 0.82 L3MBTL1 (0.63) EPHX1RAB9ANPC1KMT2AMEN1
SCHEMBL5595104 0.82 CXCR1 (0.80) RAB9ANPC1CXCR1CXCR2KMT2A
SCHEMBL29113582 0.81 KMT2A (0.59) RAB9ACXCR1CXCR2KMT2AMEN1
Urea SCHEMBL7864346 0.81 CXCR1 (0.51) EPHX1RAB9ANPC1CXCR1CXCR2
SCHEMBL21862006 0.81 KMT2A (0.62) EPHX1RAB9ANPC1KMT2AMEN1
SCHEMBL4346187 0.81 EPHX1 (0.63) EPHX1RAB9ANPC1KMT2AMEN1
SCHEMBL7860578 0.80 CXCR2 (0.51) EPHX1RAB9ANPC1CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185562-B1 PYRROLOPYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2015-12-02 EP disclosed
EP-2170827-B1 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES JANSSEN PHARMACEUTICA NV (BE) 2013-08-14 EP disclosed
US-8338422-B2 Indolin-2-ones and aza-indolin-2-ones JANSSEN PHARMACEUTICA NV (BE) 2012-12-25 US disclosed
US-20100190786-A1 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES JANSSEN PHARMACEUTICA NV (BE) 2010-07-29 US disclosed
EP-2170827-A2 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES Janssen Pharmaceutica, N.V. (BE) 2010-04-07 EP disclosed
WO-2008155421-A2 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 WO disclosed
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 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-20100190786-A1 INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES IDO2, IDO1, MKI67 EPHX1 3609/4885RAB9A 2637/4885NPC1 3076/4885

“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.