SCHEMBL2835652

SCHEMBL2835652

CNCc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 6/20 0.57
HTT P42858 5/20 0.57
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51

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
Hydrochloric Acid SCHEMBL7563670 0.98 MAPT (0.56) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL8964829 0.87 TDP1 (0.62) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL8973475 0.83 TDP1 (0.62) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL8163363 0.82 NPBWR1 (0.44) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL4856346 0.82 HTT (0.53) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL8156901 0.82 MAPT (0.46) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL1148687 0.82 ALDH1A1 (0.57) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL7568613 0.82 CYP19A1 (0.57) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL7568708 0.81 CA12 (0.54) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL7602158 0.81 CA12 (0.54) MAPTALDH1A1HTTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 4356/4885ALDH1A1 1617/4885HTT 1448/4885

“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.