SCHEMBL9288141

SCHEMBL9288141

Cc1ccc(-n2cc(C)nc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL25317305 0.83 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10901975 0.83 NR3C1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19365958 0.83 PTGS2 (0.53) NR3C1NR3C2ALDH1A1PTGS2GRM5
SCHEMBL12247671 0.83 GRM5 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27684812 0.80 TDP1 (0.41) NR3C1NR3C2GPR119PTGS2GRM5
SCHEMBL9727195 0.79 GRM5 (0.57) NR3C1NR3C2ALDH1A1GRM5NOTUM
SCHEMBL20929479 0.79 ALDH1A1 (0.56) NR3C1NR3C2ALDH1A1GPR119PTGS2
SCHEMBL9289172 0.76 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8818584 0.76 PDE2A (0.53) ALDH1A1LMNAPTGS2SMN1; SMN2MEN1
SCHEMBL25092810 0.74 TSHR (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP TUBB4A 2009/4885TUBB 1149/4885TUBA3C 1857/4885

“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.