SCHEMBL7112968

SCHEMBL7112968

COc1cc2c(cc1OC)C(=O)Cc1ccccc1S2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 6/20 0.61
HPGD P15428 4/20 0.61
HTT P42858 1/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
BLM P54132 1/20 0.47
KLK7 P49862 1/20 0.46
GAA P10253 1/20 0.44
PTGS2 P35354 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11480404 0.89 HPGD (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7110256 0.89 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11488577 0.82 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5640862 0.81 KMT2A (0.63) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5658125 0.78 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2763282 0.78 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL5641498 0.77 HPGD (0.70) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11479637 0.77 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7110795 0.77 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7967809 0.76 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 EP disclosed
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B KMT2A 918/4885MEN1 4726/4885ALDH1A1 2363/4885

“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.