SCHEMBL6178995

SCHEMBL6178995

Nc1c(Cl)cc(C(=O)O)c2nc(-c3ccccc3)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
ADORA2A P29274 6/20 0.42
ADORA1 P30542 5/20 0.42
PPARA Q07869 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
TMIGD3 P0DMS9 1/20 0.39
CTRC Q99895 1/20 0.39
NTRK1 P04629 1/20 0.39
IGF1R P08069 1/20 0.39
FGFR1 P11362 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
SCHEMBL6178418 0.87 ALDH1A1 (0.45) ADORA2ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6177967 0.80 HTR3A (0.41) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL5889550 0.78 HTR3A (0.56) ADORA2AADORA1PPARASMN1; SMN2NPC1
SCHEMBL6178061 0.75 KCNH2 (0.41) DHODHPPARANPC1MAPTRAB9A
SCHEMBL5777321 0.75 HTR3A (0.43) PPARASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL6178115 0.74 HTR3A (0.42) PPARASMN1; SMN2KDM4ELMNA
SCHEMBL20199405 0.73 DHODH (0.50) DHODHPPARASMN1; SMN2NPC1MAPT
SCHEMBL6177253 0.69 GRIN2D (0.36) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL1481133 0.67 DHODH (0.94) DHODHADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL28783782 0.67 AKR1C2 (0.45) ADORA2AADORA1PPARASMN1; SMN2NPC1

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
EP-1440071-B1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS PFIZER (US) 2005-10-26 EP disclosed
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators UCHIDA CHIKARA (JP) 2004-02-19 US disclosed
US-6624162-B2 5-HT4 receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, Functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. PFIZER INC. 2003-09-23 US disclosed
US-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators PFIZER INC. 2003-05-15 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 (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-20030092699-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HTR4, HRH4, HRH2 DHODH 4448/4885ADORA2A 278/4885ADORA1 175/4885
US-20040034226-A1 Imidazopyridine compounds as 5-HT4 receptor modulators HRH4, HTR4, HRH2 DHODH 4362/4885ADORA2A 274/4885ADORA1 158/4885

“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.