SCHEMBL4628490

SCHEMBL4628490

NC(=NC(=O)c1cccnc1)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
HSD17B10 Q99714 1/20 0.69
STAT3 P40763 1/20 0.58
SCN2A Q99250 1/20 0.57
HSD11B1 P28845 1/20 0.53
AVPR2 P30518 1/20 0.53
OXTR P30559 1/20 0.53
AVPR1A P37288 1/20 0.53
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
NOTUM Q6P988 1/20 0.47
HTR2C P28335 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL4628545 0.93 STAT3 (0.67) POLBHSD17B10STAT3SCN2AHSD11B1
SCHEMBL4627586 0.80 SCN2A (0.67) SCN2AAVPR2AVPR1AMAPTSMN1; SMN2
SCHEMBL4628474 0.80 SCN2A (0.86) POLBSCN2AAVPR2AVPR1ASMN1; SMN2
SCHEMBL4627492 0.77 SCN2A (0.60) SCN2AAVPR2AVPR1ASMN1; SMN2ALDH1A1
SCHEMBL4628693 0.74 ALDH1A1 (0.58) POLBHSD17B10SCN2AMAPTSMN1; SMN2
SCHEMBL4629002 0.74 TSHR (0.67) POLBSCN2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31700840 0.74 STAT3 (1.00) POLBHSD17B10STAT3AVPR2OXTR
SCHEMBL24499976 0.73 POLB (0.80) POLBHSD17B10STAT3AVPR2OXTR
SCHEMBL29597092 0.73 POLB (0.80) POLBHSD17B10STAT3AVPR2OXTR
SCHEMBL4628733 0.72 SCN2A (0.77) POLBSCN2AAVPR2AVPR1AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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 (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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA POLB 2690/4885HSD17B10 1498/4885STAT3 4821/4885

“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.