SCHEMBL21933895

SCHEMBL21933895

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SERPINE1 P05121 4/20 0.59
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 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
MAPT P10636 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
FABP4 P15090 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL21030832 0.93 KCNMA1 (0.68) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21934773 0.91 HDAC1 (0.62) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21933922 0.89 SERPINE1 (0.63) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21933891 0.85 MEN1 (0.60) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21933946 0.84 HSP90AA1 (0.60) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21933992 0.83 SERPINE1 (0.63) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL21935003 0.81 SUCNR1 (0.71) MEN1KMT2ASERPINE1KDM4ENPSR1
SCHEMBL14476825 0.80 KCNMA1 (1.00) KCNMA1MEN1KMT2AHDAC1HDAC2
SCHEMBL3793263 0.80 KCNMA1 (0.76) KCNMA1MEN1KMT2ASERPINE1KDM4E
SCHEMBL11161487 0.80 EPHX1 (0.74) MEN1KMT2ANPSR1MAPTNPC1

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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 KCNMA1 1570/4885MEN1 343/4885KMT2A 794/4885

“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.