SCHEMBL6318776

SCHEMBL6318776

Cc1c(Cc2cccc([N+](=O)[O-])c2)c(Cl)c2c(nc3ccccn32)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MITF O75030 1/20 0.38
ENPP1 P22413 1/20 0.38
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP19A1 P11511 1/20 0.35
TP53 P04637 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
SCHEMBL6319758 0.90 ENPP2 (0.41) ALDH1A1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL6311004 0.85 ENPP2 (0.43) ALDH1A1POLBRAB9ASMN1; SMN2NPC1
SCHEMBL6311410 0.84 PIK3CD (0.38) ALDH1A1POLBL3MBTL1SMN1; SMN2MEN1
SCHEMBL6317979 0.80 ADORA3 (0.43) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL6311104 0.79 ENPP2 (0.41) ALDH1A1RXFP1SMN1; SMN2MAPTLMNA
SCHEMBL6310328 0.78 NPSR1 (0.44) ALDH1A1RXFP1POLBRAB9ASMN1; SMN2
SCHEMBL6310705 0.77 ENPP2 (0.39) ALDH1A1POLBL3MBTL1RAB9ASMN1; SMN2
SCHEMBL6312086 0.75 MAPT (0.47) ALDH1A1L3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL6317655 0.75 HTR2A (0.38) L3MBTL1RAB9ASMN1; SMN2MEN1NPC1
SCHEMBL6312786 0.74 KDM4E (0.44) ALDH1A1RXFP1POLBRAB9ASMN1; SMN2

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-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 ALDH1A1 2550/4885RXFP1 1521/4885POLB 3998/4885

“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.