SCHEMBL3141600

SCHEMBL3141600

CC(C)Cc1cc(C(=O)N2CCCC2)nnc1C1=NC(C(C)C)CO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.37
RAB9A P51151 13/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 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
SCHEMBL3141590 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13600516 0.99 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4489342 0.84 NPC1 (0.31) NPC1
SCHEMBL4489335 0.84 NPC1 (0.31) NPC1
SCHEMBL13762558 0.74 RAB9A (0.44) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL3128705 0.72 GNE (0.40) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4489665 0.71 HPGD (0.41) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13523736 0.71 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL3136957 0.69 HPGD (0.40) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13523629 0.69 HPGD (0.42) NPC1RAB9ASMN1; SMN2HPGDTSHR

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-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 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-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE H1-4, H1-5, H1-3 NPC1 3934/4885RAB9A 4442/4885SMN1; SMN2 4157/4885

“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.