SCHEMBL563121

SCHEMBL563121

CCCCCc1cc(NCC(C)(C)O)c([N+](=O)[O-])c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
DCTPP1 Q9H773 2/20 0.34
EGFR P00533 1/20 0.34
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL3339765 0.86 EGFR (0.46) KDM4EALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL4762924 0.85 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4762917 0.85 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL563646 0.85 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL563139 0.84 HRH2 (0.40) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL562959 0.78 CNR1 (0.32) ALDH1A1MEN1KMT2ACNR2CNR1
SCHEMBL31260429 0.74 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3167025 0.74 EGFR (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3338230 0.73 SMN1; SMN2 (0.40) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL562449 0.71 TLR7 (0.40) SMN1; SMN2CASP3SENP8SENP7SENP6

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 KDM4E 2230/4885ALDH1A1 598/4885SMN1; SMN2 2868/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 KDM4E 2272/4885ALDH1A1 623/4885SMN1; SMN2 2925/4885

“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.