SCHEMBL4629439

SCHEMBL4629439

CC(C)c1ccc(NC(=N)NC(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PCTP Q9UKL6 1/20 0.44
STARD10 Q9Y365 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
P2RX7 Q99572 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 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
SCHEMBL4627470 0.90 ALDH1A1 (0.51) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL4629293 0.85 ALDH1A1 (0.47) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL4627435 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4629385 0.82 SMN1; SMN2 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4628729 0.80 TAS1R3 (0.49) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL4629403 0.77 CRHBP (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4628487 0.76 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4628977 0.76 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4629422 0.75 MEN1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4628446 0.73 SCN5A (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 3 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 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 JAK2 4169/4885NPC1 140/4885RAB9A 617/4885

“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.