SCHEMBL3089202

SCHEMBL3089202

Cc1ccc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
LMNA P02545 5/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
MAPK1 P28482 3/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 12/20 0.58
MEN1 O00255 11/20 0.58
ALDH1A1 P00352 5/20 0.58
ALOX12 P18054 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
POLB P06746 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
HPGD P15428 1/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
CACNA1B Q00975 1/20 0.54

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
SCHEMBL10005082 0.85 MAPT (0.74) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL29502906 0.85 MAPT (0.74) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL1454748 0.85 MAPT (0.63) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL16430329 0.85 MAPT (0.62) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5897734 0.83 MAPT (0.60) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL374408 0.82 RAB9A (0.65) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL27526687 0.82 MAPT (0.57) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL28787844 0.81 MAPT (0.67) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL3817483 0.80 MEN1 (0.71) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL31650343 0.80 MAPT (0.78) MAPTLMNANPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 US disclosed
CN-101506171-A Isoquinoline derivatives as inhibitors of cytokine mediated diseases and uses thereof ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 US 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 (2 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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B MAPT 2253/4885LMNA 4014/4885NPC1 1257/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B MAPT 1124/4885LMNA 3775/4885NPC1 1331/4885

“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.