SCHEMBL997740

SCHEMBL997740

COc1cccc(OC)c1C1c2[nH]c3ccccc3c2C2(CC2)CN1C(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.41
MAPT P10636 7/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 5/20 0.40
LMNA P02545 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
LHCGR P22888 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 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
SCHEMBL998300 0.92 MAPT (0.43) PAX8MAPTPOLBNPSR1TP53
SCHEMBL998141 0.90 ALDH1A1 (0.44) PAX8MAPTPOLBNPSR1TP53
SCHEMBL998636 0.90 ABCB1 (0.49) PAX8MAPTPOLBTP53LMNA
SCHEMBL999200 0.88 PAX8 (0.45) PAX8MAPTNPSR1TP53LMNA
SCHEMBL997511 0.88 TP53 (0.44) PAX8MAPTPOLBNPSR1TP53
SCHEMBL999048 0.88 PAX8 (0.45) PAX8MAPTTP53LMNAABCB1
SCHEMBL998229 0.87 ABCG2 (0.50) PAX8MAPTNPSR1TP53ABCB1
SCHEMBL997842 0.87 TP53 (0.53) PAX8MAPTPOLBTP53LMNA
SCHEMBL1000385 0.87 TP53 (0.45) PAX8MAPTPOLBTP53LMNA
SCHEMBL998711 0.85 TP53 (0.48) PAX8MAPTPOLBNPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS PAX8 4531/4885MAPT 4705/4885POLB 1026/4885

“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.