SCHEMBL13625507

SCHEMBL13625507

CC(C)Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
DHODH Q02127 2/20 0.42
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 2/20 0.38
EP300 Q09472 2/20 0.37
WNT3A P56704 4/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL13637169 0.80 RAB9A (0.44) DHODHMEN1POLBMAPTKMT2A
SCHEMBL11828359 0.78 EP300 (0.39) DHODHHDAC4EP300WNT3A
SCHEMBL10260862 0.77 CYP1A2 (0.50) XDHDHODHMEN1POLBKMT2A
SCHEMBL6215593 0.77 MKNK1 (0.50) DHODHHDAC4EP300WNT3A
SCHEMBL3118227 0.77 HDAC4 (0.40) DHODHHDAC4EP300WNT3A
SCHEMBL6852546 0.77 WNT3A (0.42) DHODHHDAC4EP300WNT3A
SCHEMBL3118237 0.77 CYP2A6 (0.50) DHODHHDAC4EP300WNT3A
SCHEMBL25868356 0.75 CYP1A2 (0.60) DHODHHDAC4EP300
SCHEMBL31370434 0.75 CYP1A2 (0.60) DHODHHDAC4EP300
SCHEMBL6876121 0.74 AOC3 (0.50) DHODHHDAC4EP300WNT3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 XDH 3375/4885DHODH 1413/4885MEN1 3930/4885

“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.