SCHEMBL4629403

SCHEMBL4629403

CC(C)c1ccc(NC(=N)NC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
RAB9A P51151 10/20 0.51
NPC1 O15118 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.49
EGFR P00533 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48

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
SCHEMBL4628487 0.87 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2LMNAEGFR
SCHEMBL4628446 0.87 SCN5A (0.54) RAB9ANPC1SMN1; SMN2LMNAEGFR
SCHEMBL2563194 0.84 NPC1 (0.68) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL3070358 0.84 NPC1 (0.67) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL4628979 0.84 NPC1 (0.76) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL4628721 0.83 RAB9A (0.63) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL4627470 0.82 ALDH1A1 (0.51) CRHBPCRHR2RAB9ANPC1SMN1; SMN2
SCHEMBL4629385 0.82 SMN1; SMN2 (0.51) CRHBPCRHR2RAB9ANPC1SMN1; SMN2
SCHEMBL4628765 0.82 KMT2A (0.61) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL9042764 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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 CRHBP 4236/4885CRHR2 3475/4885RAB9A 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.