SCHEMBL4135075

SCHEMBL4135075

O=c1[nH][c]nc2c1CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
PDPK1 O15530 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
PARP1 P09874 1/20 0.33
WNT3A P56704 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL4135057 1.00 HPGD (0.41) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4147919 0.98 HPGD (0.39) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11216782 0.70
SCHEMBL223477 0.67
SCHEMBL13911357 0.64 GAA (0.50) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12349970 0.64 GAA (0.50) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3590491 0.62 OR51E2 (0.35) ALDH1A1TSHR
SCHEMBL2624085 0.61 TSHR (0.49) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3425926 0.60 HPGD (0.53) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15599438 0.60 HPGD (0.53) HPGDMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB HPGD 2097/4885MAPT 3353/4885SMN1; SMN2 4164/4885

“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.