SCHEMBL5492605

SCHEMBL5492605

CC(C)(C)c1ccc(NC(=O)CCl)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
NPC1 O15118 3/20 0.64
MAPK1 P28482 3/20 0.64
RAB9A P51151 3/20 0.64
HTT P42858 2/20 0.64
GLA P06280 1/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KCNMA1 Q12791 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL27524434 0.86 KCNMA1 (0.59) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL11659267 0.86 ALDH1A1 (0.64) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL2646601 0.83 MAPK1 (0.71) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL26607461 0.83 ALDH1A1 (0.75) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL31159595 0.82 ALDH1A1 (0.63) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL5493964 0.80 MAPK1 (0.68) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL31159496 0.80 PKM (0.63) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL8751610 0.80 KCNMA1 (0.56) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL1762404 0.79 MAPK1 (0.63) ALDH1A1NPC1MAPK1RAB9AHTT
SCHEMBL30573735 0.78 ALDH1A1 (0.64) ALDH1A1NPC1MAPK1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885NPC1 1130/4885MAPK1 44/4885

“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.