SCHEMBL203034

SCHEMBL203034

CC(C)(CNC(=O)OC(C)(C)C)CNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
AAK1 Q2M2I8 1/20 0.38
BCHE P06276 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
MET P08581 1/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12757193 0.89 MEN1 (0.45) LATS1MEN1KMT2ANPC1GAA
SCHEMBL1041911 0.89 MEN1 (0.45) LATS1MEN1KMT2ANPC1GAA
SCHEMBL1231854 0.88 BCHE (0.48) LATS1MEN1KMT2ANPC1GAA
SCHEMBL1233747 0.86 MEN1 (0.41) LATS1MEN1KMT2ANPC1GAA
SCHEMBL1233074 0.86 STK17B (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29947704 0.86 EGFR (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29136628 0.86 EGFR (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1036949 0.86 BRD4 (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1041725 0.84 BCHE (0.44) LATS1MEN1KMT2ANPC1GAA
SCHEMBL30361640 0.84 MAPT (0.40) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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 (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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 LATS1 3819/4885MEN1 3475/4885KMT2A 1143/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 LATS1 3525/4885MEN1 4112/4885KMT2A 3293/4885

“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.