SCHEMBL4271503

SCHEMBL4271503

Cc1cc(N(Cc2ccccc2)Cc2ccccc2)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIN1 Q13526 3/20 0.41
FAAH O00519 3/20 0.40
MGLL Q99685 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL4281595 0.76 KDM4E (0.40) ALDH1A1L3MBTL1MAPK1TDP1PKM
SCHEMBL4281585 0.76 KDM4E (0.40) ALDH1A1L3MBTL1MAPK1TDP1PKM
SCHEMBL4281593 0.76 KDM4E (0.40) ALDH1A1L3MBTL1MAPK1TDP1PKM
SCHEMBL3758916 0.75 MAPT (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
Potassium Ion SCHEMBL5829317 0.74 KDM4E (0.39) ALDH1A1L3MBTL1MAPK1TDP1PKM
SCHEMBL18957424 0.71 TSHR (0.40) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL18957423 0.71 TSHR (0.40) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL1164206 0.71 TSHR (0.40) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL1164208 0.71 TSHR (0.40) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL2810982 0.71 LDHA (0.54) ALDH1A1TDP1PKMMEN1KMT2A

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-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
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 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 (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 ALDH1A1 3508/4885L3MBTL1 2894/4885MAPK1 89/4885

“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.