SCHEMBL4281222

SCHEMBL4281222

CCOC(=O)C(O)=Cc1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 6/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
AR P10275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4281219 1.00 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4281214 1.00 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1LMNAHPGD
Potassium Ion SCHEMBL5829357 0.90 ALDH1A1 (0.37) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL5435852 0.85 KDM4E (0.38) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL5435846 0.85 KDM4E (0.38) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4273990 0.79 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4274001 0.79 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4273998 0.79 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL4281595 0.77 KDM4E (0.40) CYP1A2CYP2C19ALDH1A1LMNAKDM4E
SCHEMBL4281593 0.77 KDM4E (0.40) CYP1A2CYP2C19ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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 (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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 CYP1A2 3216/4885CYP2C19 2459/4885ALDH1A1 3508/4885

“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.