SCHEMBL4629282

SCHEMBL4629282

Cc1ccc(C(=O)NC(=N)Nc2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 6/20 0.56
SCN2A Q99250 2/20 0.54
SCN5A Q14524 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX12 P18054 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49
KCNJ11 Q14654 1/20 0.49

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
SCHEMBL30735621 0.87 RAB9A (0.76) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3679744 0.87 RAB9A (0.76) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4628969 0.86 NPC1 (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL14859447 0.85 RAB9A (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4628420 0.80 KCNJ11 (0.52) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4628744 0.80 SCN5A (0.53) RAB9ANPC1KMT2ASCN2ASCN5A
SCHEMBL3077490 0.78 KDM4E (0.60) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL4628397 0.77 SCN2A (0.60) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL4657603 0.77 ALDH1A1 (0.70) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3068433 0.77 KDM4E (0.61) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 RAB9A 617/4885NPC1 140/4885CYP1A2 1959/4885

“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.