SCHEMBL4628545

SCHEMBL4628545

NC(=NC(=O)c1cccnc1)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.67
SCN2A Q99250 1/20 0.65
POLB P06746 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 2/20 0.57
HTR2C P28335 1/20 0.54
ALOX15 P16050 1/20 0.50
NR4A1 P22736 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HSD11B1 P28845 1/20 0.45
TSHR P16473 3/20 0.45
NOTUM Q6P988 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL4628490 0.93 POLB (0.69) STAT3SCN2APOLBHSD17B10MAPT
SCHEMBL31700840 0.81 STAT3 (1.00) STAT3POLBHSD17B10MAPTHTR2C
SCHEMBL4629262 0.79 SCN2A (1.00) SCN2AMAPTALDH1A1HPGDTDP1
SCHEMBL4628733 0.79 SCN2A (0.77) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4628750 0.76 SCN2A (0.69) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4658155 0.74 SCN2A (0.62) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4659179 0.74 SCN2A (0.62) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4628459 0.73 TSHR (0.66) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4628667 0.73 NPC1 (0.66) SCN2APOLBMAPTALDH1A1HPGD
SCHEMBL4629264 0.73 SCN2A (0.58) SCN2APOLBMAPTALDH1A1AVPR1A

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 STAT3 4821/4885SCN2A 1613/4885POLB 2690/4885

“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.