SCHEMBL998536

SCHEMBL998536

Cc1cc(C)cc(NC(=O)N2CC3(CC3)c3c([nH]c4ccccc34)C2c2ccccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
SHMT2 P34897 1/20 0.49
MAPT P10636 4/20 0.46
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PAX8 Q06710 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LHCGR P22888 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
GOT1 P17174 1/20 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
SCHEMBL998866 0.95 TP53 (0.47) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL997501 0.93 TP53 (0.46) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL997421 0.92 NPC1 (0.45) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL997511 0.92 TP53 (0.44) TP53SHMT2MAPTPOLBPAX8
SCHEMBL997308 0.89 ABCG2 (0.47) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL998300 0.88 MAPT (0.43) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL1000909 0.88 PAX8 (0.45) TP53MAPTPOLBPAX8LMNA
SCHEMBL998843 0.88 TP53 (0.44) TP53SHMT2MAPTABCB1ABCG2
SCHEMBL998711 0.88 TP53 (0.48) TP53MAPTABCB1ABCG2POLB
SCHEMBL998141 0.86 ALDH1A1 (0.44) TP53MAPTPOLBALDH1A1PAX8

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 TP53 945/4885SHMT2 579/4885MAPT 4705/4885

“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.