SCHEMBL6311707

SCHEMBL6311707

CCCCc1c(C)c(C#N)c2nc3cc(C(=O)OCC)ccc3n2c1N1CC[C@H](N(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT2 Q8IXJ6 8/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIRT1 Q96EB6 5/20 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
SCHEMBL6311704 0.87 HPGD (0.44) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6319981 0.83 NPSR1 (0.43) HPGDALDH1A1TSHRCASP1CASP7
Formic Acid SCHEMBL6313188 0.82 NPSR1 (0.54) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6311719 0.82 NPSR1 (0.46) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6312844 0.81 L3MBTL1 (0.59) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6311693 0.79 ALDH1A1 (0.55) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6318629 0.79 HPGD (0.64) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6312311 0.79 ALDH1A1 (0.57) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6311130 0.78 HIF1A (0.57) HPGDALDH1A1TSHRCASP1CASP7
SCHEMBL6312657 0.77 NPSR1 (0.44) HPGDALDH1A1TSHRCASP1CASP7

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 2550/4885TSHR 4471/4885

“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.