SCHEMBL19009938

SCHEMBL19009938

Oc1ccc(O)c2nc(-c3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
IDO1 P14902 2/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
FTO Q9C0B1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
ALK Q9UM73 1/20 0.43
CCR6 P51684 1/20 0.43
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL25850878 0.79 PARP1 (0.45) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL4177850 0.77 TDO2 (0.53) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL564494 0.77 PARP1 (0.58) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL29729655 0.77 PARP1 (0.58) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL30457867 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL29040612 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1
Lithium SCHEMBL17924084 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL29040616 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL6431677 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1
SCHEMBL16586107 0.76 PARP1 (0.57) TDO2KMT2AMEN1RAB9AIDO1

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-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof JNC CORPORATION (JP) 2020-03-03 US disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 US disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 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 (2 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-10581022-B2 Polymerizable liquid crystal compound, composition, liquid crystal polymerization film-kind thereof and use thereof RCC1, CHRM1, PFN1 TDO2 1130/4885KMT2A 1293/4885MEN1 212/4885
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF RCC1, CHRM1, PFN1 TDO2 1130/4885KMT2A 1293/4885MEN1 212/4885

“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.