SCHEMBL7108668

SCHEMBL7108668

COc1cc(OC)cc(Sc2ccccc2CC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
IDO1 P14902 5/20 0.46
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP12 P39900 4/20 0.42
HTR1A P08908 2/20 0.40
HTR3A P46098 2/20 0.40
AR P10275 2/20 0.40
MMP14 P50281 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL6934949 0.89 HTR1A (0.49) KMT2AMEN1POLBIDO1MMP2
SCHEMBL6937792 0.87 MEN1 (0.65) KMT2AMEN1POLBMMP2MMP9
SCHEMBL14098016 0.82 CYP1A1 (0.39) KMT2AMEN1POLBIDO1MMP2
SCHEMBL14098036 0.82 IDO1 (0.38) KMT2AMEN1POLBIDO1
SCHEMBL7108674 0.80 IDO1 (0.52) KMT2AMEN1POLBIDO1MMP2
SCHEMBL7116833 0.80 IDO1 (0.49) KMT2AMEN1POLBIDO1MMP2
SCHEMBL14098340 0.80 AR (0.53) KMT2AMEN1POLBMMP2MMP9
SCHEMBL14138488 0.80 IDO1 (0.38) KMT2AMEN1POLBIDO1HTR1A
SCHEMBL8590717 0.77 CHRNA7 (0.49) KMT2AMEN1POLBHTR1AHTR3A
SCHEMBL5659555 0.77 MAP2K2 (0.46) KMT2AMEN1POLBARSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4726/4885POLB 4657/4885

“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.