SCHEMBL10037463

SCHEMBL10037463

O=C(c1ccccc1)c1cc2c(s1)C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.51
TTR P02766 2/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
FTO Q9C0B1 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
RECQL P46063 2/20 0.48
BCHE P06276 1/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL6001534 0.86 MAPK14 (0.48) MAOATTRMAPTMEN1KMT2A
SCHEMBL10037462 0.82 MAOA (0.56) MAOATTRMAPTMEN1KMT2A
SCHEMBL10037461 0.82 MAOA (0.56) MAOATTRMAPTMEN1KMT2A
SCHEMBL20189223 0.80 ALDH1A1 (0.43) MAOATTRMAPTMEN1KMT2A
SCHEMBL20187563 0.80 ALDH1A1 (0.56) MAOATTRMAPTMEN1KMT2A
SCHEMBL6001053 0.79 DYRK1A (0.47) TTRMAPTMEN1KMT2ALMNA
SCHEMBL10037457 0.77 MAOA (0.58) MAOATTRMAPTMEN1KMT2A
SCHEMBL6001745 0.77 BCL2 (0.45) MAOATTRMAPTMEN1KMT2A
SCHEMBL20187634 0.76 ALDH1A1 (0.54) MAOATTRMAPTMEN1KMT2A
SCHEMBL20188766 0.73 MAOA (0.50) MAOATTRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 MAOA 1290/4885TTR 4113/4885MAPT 4425/4885

“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.