SCHEMBL4629409

SCHEMBL4629409

CC(C)(C)c1ccc(NC(=N)NC(=O)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
SERPINE1 P05121 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX1 P51575 2/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL4628729 0.84 TAS1R3 (0.49) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL4627548 0.83 NPC1 (0.73) CNR2SMN1; SMN2RAB9ANPC1SERPINE1
SCHEMBL4628463 0.81 NPC1 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL4824223 0.76 POLB (0.71) CNR2SMN1; SMN2RAB9ANPC1SERPINE1
SCHEMBL29929613 0.74 JAK2 (0.78) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL4629416 0.74 ALDH1A1 (0.47) CNR2SMN1; SMN2RAB9ANPC1SERPINE1
SCHEMBL4627483 0.74 TAS1R3 (0.56) SMN1; SMN2RAB9ANPC1TAS1R3TAS1R1
SCHEMBL4629228 0.73 NPC1 (0.56) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL11133130 0.71 TDP1 (0.63) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL4983445 0.71 NPC1 (0.53) SMN1; SMN2RAB9ANPC1LMNAMEN1

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-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 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 CNR2 571/4885SMN1; SMN2 53/4885RAB9A 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.