SCHEMBL4628547

SCHEMBL4628547

COc1ccc(C(=O)NC(=N)NCCCN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.52
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
FYN P06241 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
PLK1 P53350 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
MCHR1 Q99705 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 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
SCHEMBL10379572 0.86 NPC1 (0.74) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
SCHEMBL4629038 0.85 HPGD (0.53) NPC1RAB9ASIRT2HPGDSMN1; SMN2
SCHEMBL1499487 0.81 NPC1 (0.65) NPC1RAB9ASIGMAR1SIRT2HPGD
SCHEMBL4629479 0.80 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL4628718 0.79 ALDH1A1 (0.62) NPC1RAB9ASIGMAR1KMT2AALDH1A1
SCHEMBL4628372 0.78 ALDH1A1 (0.61) NPC1RAB9ASIGMAR1KMT2AALDH1A1
SCHEMBL10707297 0.78 ALDH1A1 (0.73) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
SCHEMBL4627556 0.76 NPC1 (0.61) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL10020214 0.75 HPGD (0.79) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
SCHEMBL4628790 0.74 NPC1 (0.72) NPC1RAB9AHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 140/4885RAB9A 617/4885SIGMAR1 2799/4885

“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.