SCHEMBL13699254

SCHEMBL13699254

CCC(C)Cc1ccc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 14/20 0.59
CYP2C19 P33261 9/20 0.59
CYP2C9 P11712 8/20 0.59
CYP3A4 P08684 8/20 0.59
CYP2D6 P10635 7/20 0.59
CYP2E1 P05181 7/20 0.59
CYP2B6 P20813 6/20 0.59
CYP1A2 P05177 2/20 0.46
CYP2C8 P10632 1/20 0.46
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL10130586 0.86 CYP2A6 (0.64) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13699162 0.85 RORC (0.44) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL10162003 0.81 CYP2A6 (0.70) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13699263 0.79 CYP2D6 (0.39) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13514034 0.77 SLC5A2 (0.37) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13699203 0.75 KDM4E (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13035339 0.74 CYP2A6 (0.70) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3610698 0.74 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3611935 0.74 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13003924 0.74 MKNK1 (0.56) CYP2A6CYP2C19CYP2C9CYP3A4CYP2D6

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CYP2A6 4/4885CYP2C19 7/4885CYP2C9 10/4885

“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.