SCHEMBL9980175

SCHEMBL9980175

Cc1ccc2c(c1)C=Cc1ccc(C(C)C)cc1N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.34
TRPA1 O75762 2/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
ROS1 P08922 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.32
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL9980152 0.94 GAA (0.34) GAAMAPTLMNATRPA1PTGS1
SCHEMBL2707213 0.90 GAA (0.39) GAAMAPTLMNATRPA1PTGS1
SCHEMBL2756584 0.84 MAPT (0.43) GAAMAPTCYP1A2CYP2A6ROS1
SCHEMBL18418045 0.82 GAA (0.39) GAAMAPTLMNATRPA1PTGS1
SCHEMBL20055154 0.81 GAA (0.32) GAAMAPTHPGDGFERHSD17B10
SCHEMBL18462587 0.80 MAPT (0.44) GAAMAPTCYP1A2CYP2A6ROS1
SCHEMBL18462589 0.80 GAA (0.33) GAAMAPTCYP1A2CYP2A6HPGD
SCHEMBL13070649 0.79 GAA (0.36) GAAMAPTLMNAHPGDHSD17B10
SCHEMBL20055096 0.77 GAA (0.33) GAAMAPTCYP1A2CYP2A6HPGD
SCHEMBL20968079 0.75 MAPT (0.64) GAAMAPTLMNACYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885MAPT 2923/4885LMNA 1353/4885

“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.