SCHEMBL4628567

SCHEMBL4628567

CCOc1ccc(C(=O)NC(=N)Nc2ccccc2C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
PLK1 P53350 1/20 0.51
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
NLRP3 Q96P20 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 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
SCHEMBL4628991 0.92 PLK1 (0.51) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4628954 0.85 LMNA (0.55) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4628744 0.84 SCN5A (0.53) KMT2ARAB9ANPC1LMNANPSR1
SCHEMBL4628741 0.77 ALDH1A1 (0.59) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4627560 0.75 LPAR1 (0.50) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL28912681 0.74 PLK1 (0.72) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4628708 0.74 ALDH1A1 (0.48) KMT2ARAB9ANPC1MEN1LMNA
SCHEMBL4628571 0.73 SCN2A (0.72) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4629400 0.73 MAPT (0.45) KMT2ASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6721277 0.72 GRIN2D (0.53) KMT2ANLRP3L3MBTL1POLBMAPT

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 KMT2A 3245/4885RAB9A 617/4885NPC1 140/4885

“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.