SCHEMBL4892950

SCHEMBL4892950

CCOC(=O)c1ccc([N+](=O)[O-])c(NCCC(C)(C)[N+](=O)[O-])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP1A2 P05177 1/20 0.41
PTGER4 P35408 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL4768490 0.83 MAOA (0.39) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL4589313 0.82 ALDH1A1 (0.50) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL41694 0.77 HRH3 (0.48) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL4777133 0.76 MAPT (0.58) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL4917447 0.76 MAPT (0.75) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL29210605 0.75 MAPT (0.40) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL30983656 0.75 MAPT (0.40) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL19306188 0.75 CYP1A2 (0.54) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL25205130 0.74 MAPT (0.39) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL30080307 0.74 MAPT (0.39) MAPTALDH1A1RAB9ANPC1PKM

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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 MAPT 4073/4885ALDH1A1 1087/4885RAB9A 2635/4885

“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.