SCHEMBL4628935

SCHEMBL4628935

CC(C)(C)c1ccc(NC(=N)NC(=O)c2ccco2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
KDM4E B2RXH2 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
CYP2C19 P33261 1/20 0.70
MAPT P10636 3/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 8/20 0.53
HTT P42858 1/20 0.53
GAA P10253 3/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL13240442 0.86 KMT2A (0.91) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL4627511 0.82 RAB9A (0.57) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL12940126 0.78 MEN1 (0.79) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL19299513 0.77 KDM4E (0.79) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL4629228 0.75 NPC1 (0.56) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL4628945 0.75 GPR55 (0.58) MEN1KMT2AMAPTRAB9ATP53
SCHEMBL4628681 0.75 ALDH1A1 (0.56) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL4627548 0.74 NPC1 (0.73) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL4629429 0.74 RAB9A (0.55) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL4628939 0.73 KMT2A (0.54) MEN1KMT2AKDM4ECYP1A2CYP2C9

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 MEN1 1819/4885KMT2A 3245/4885KDM4E 3300/4885

“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.