SCHEMBL6311704

SCHEMBL6311704

CCCCc1c(C)c(C#N)c2nc3cc(C(=O)OCC)ccc3n2c1N1CCCC1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT2 Q8IXJ6 7/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.40
SIRT1 Q96EB6 4/20 0.39
PDE2A O00408 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6311707 0.87 HPGD (0.45) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6311718 0.82 NPSR1 (0.46) HPGDALDH1A1HSD17B10TSHRCASP1
Formic Acid SCHEMBL6313185 0.82 NPSR1 (0.55) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6312840 0.81 L3MBTL1 (0.59) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6318629 0.80 HPGD (0.64) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6311691 0.79 ALDH1A1 (0.55) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6312305 0.78 ALDH1A1 (0.56) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6312655 0.78 NPSR1 (0.44) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6311128 0.77 HIF1A (0.56) HPGDALDH1A1HSD17B10TSHRCASP1
SCHEMBL6313325 0.76 ALDH1A1 (0.55) HPGDALDH1A1HSD17B10TSHRCASP1

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 HPGD 2061/4885ALDH1A1 2550/4885HSD17B10 4223/4885

“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.