SCHEMBL13625509

SCHEMBL13625509

Cc1ccc(-c2ccc(CC(C)C)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
DHODH Q02127 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.37
NFKB1 P19838 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
CYP2C9 P11712 2/20 0.36
AKR1C3 P42330 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL17051575 0.80 NPC1 (0.44) MAPTMEN1POLBKMT2ALMNA
SCHEMBL13637168 0.79 RAB9A (0.46) MAPTPOLBLMNANFKB1NPC1
SCHEMBL13625508 0.79 NPC1 (0.44) XDHDHODHMAPTPOLBLMNA
SCHEMBL6677218 0.78 HRH3 (0.48) MAPTLMNANFKB1NPC1RAB9A
SCHEMBL12970083 0.78 FYN (0.41) MAPTLMNANFKB1NPC1RAB9A
SCHEMBL11994522 0.76 RAB9A (0.42) DHODHMAPTMEN1KMT2ALMNA
SCHEMBL10000239 0.74 NPC1 (0.53) MAPTMEN1POLBKMT2ALMNA
SCHEMBL25455888 0.74 XDH (0.46) XDHDHODHMAPTMEN1POLB
SCHEMBL13625507 0.74 XDH (0.42) XDHDHODHMAPTMEN1POLB
SCHEMBL765757 0.74 CCR1 (0.50) XDHDHODHMAPTMEN1POLB

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 2 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-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 1413/4885MAPT 4008/4885

“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.