SCHEMBL4286016

SCHEMBL4286016

Cc1ccc2c(Cl)ccc(O)c2n1.Cc1ccc2c(Cl)ccc(O)c2n1.[MgH2]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
OPRK1 P41145 1/20 0.65
MAPT P10636 3/20 0.59
CTSB P07858 1/20 0.53
CTSH P09668 1/20 0.53
KDM4E B2RXH2 8/20 0.49
METAP2 P50579 2/20 0.49
BRD4 O60885 1/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
METAP1 P53582 1/20 0.49
PIM1 P11309 1/20 0.47
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL7692195 0.98 KMT2A (0.67) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL4293438 0.96 KMT2A (0.65) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL4304569 0.96 KMT2A (0.65) KMT2AOPRK1MAPTCTSBCTSH
Acetic Acid SCHEMBL29222763 0.90 KMT2A (0.57) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL4174305 0.83 KMT2A (0.56) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL3275602 0.82 KMT2A (0.77) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL7171554 0.80 KMT2A (0.74) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL8090833 0.79 KMT2A (1.00) KMT2AOPRK1MAPTCTSBCTSH
SCHEMBL25097371 0.79 MAPT (0.55) KMT2AOPRK1MAPTKDM4EHTT
SCHEMBL3984759 0.79 MAPT (0.53) KMT2AOPRK1MAPTCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-20070018568-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-01-25 US disclosed
US-20060228577-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-10-12 US disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US disclosed
EP-1599074-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-11-23 EP disclosed
EP-1560469-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-08-03 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-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 KMT2A 2959/4885OPRK1 1435/4885MAPT 3307/4885

“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.