SCHEMBL21030832

SCHEMBL21030832

O=C(Nc1cc(Cl)ccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SERPINE1 P05121 3/20 0.63
KDM4E B2RXH2 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
FABP4 P15090 3/20 0.58
MAPT P10636 1/20 0.56
FABP5 Q01469 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52

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
SCHEMBL21933895 0.93 KCNMA1 (0.67) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL11161487 0.86 EPHX1 (0.74) MEN1KMT2ANPSR1MAPTNPC1
SCHEMBL5099112 0.85 FABP4 (0.62) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21933922 0.84 SERPINE1 (0.63) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL3793263 0.83 KCNMA1 (0.76) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21934773 0.83 HDAC1 (0.62) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL5213164 0.83 KDM4E (0.59) MEN1KMT2ASERPINE1KDM4ENPSR1
SCHEMBL6059859 0.83 KMT2A (0.64) MEN1KMT2ASERPINE1KDM4ENPSR1
SCHEMBL8819672 0.82 MEN1 (0.82) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL24610035 0.82 MEN1 (0.53) KCNMA1MEN1KMT2ASERPINE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161485-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SOULBRAIN CO., LTD. (KR) 2019-05-30 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-20190161485-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE DRD1, NR2E3, CRY1 KCNMA1 2808/4885MEN1 3006/4885KMT2A 2841/4885

“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.