SCHEMBL4629293

SCHEMBL4629293

CC(C)c1ccc(NC(=N)NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TYK2 P29597 2/20 0.46
JAK2 O60674 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL7603611 0.86 RAB9A (0.50) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL4629439 0.85 JAK2 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL4627470 0.85 ALDH1A1 (0.51) ALDH1A1MAPTGAARAB9ASMN1; SMN2
SCHEMBL4629403 0.80 CRHBP (0.52) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL4628487 0.79 SMN1; SMN2 (0.52) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL4629248 0.78 NPC1 (0.64) ALDH1A1MAPTGAARAB9ASMN1; SMN2
SCHEMBL4629422 0.78 MEN1 (0.52) MAPTGAAKDM4ERAB9ASMN1; SMN2
SCHEMBL4629400 0.78 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KMT2AITGB1
SCHEMBL4628729 0.77 TAS1R3 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4627435 0.77 NPC1 (0.56) ALDH1A1MAPTGAAKDM4ERAB9A

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 6 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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 ALDH1A1 858/4885MAPT 705/4885GAA 3/4885

“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.