SCHEMBL22930600

SCHEMBL22930600

C[C@@H]1C=CC=C(c2cc(-c3ccccc3)nc(-c3ccccc3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.38
MEN1 O00255 9/20 0.38
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ADORA1 P30542 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADORA2A P29274 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
CYP19A1 P11511 1/20 0.35
AGTR1 P30556 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL18726716 0.82 MEN1 (0.36) KMT2AMEN1MAPTTDP1TSHR
SCHEMBL16855484 0.78
SCHEMBL12956775 0.75 CHRNB2 (0.41)
SCHEMBL23676537 0.75 KDM4E (0.35) KMT2AMEN1TDP1ALDH1A1ADORA1
SCHEMBL25477869 0.75 MEN1 (0.35) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL24594213 0.74 ACACA (0.32) KMT2AMEN1MAPTTDP1TSHR
SCHEMBL24594486 0.74 KDM4E (0.33) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL24727156 0.74 LMNA (0.35) KMT2AMEN1MAPTTDP1TSHR
SCHEMBL21664999 0.74 MEN1 (0.32) KMT2AMEN1MAPTATMALDH1A1
SCHEMBL23050591 0.74 ACACA (0.34) KMT2AMEN1MAPTTDP1ALDH1A1

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-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-02-02 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-10910567-B2 Double spiro-type compound and organic light emitting diode comprising same NR2E3, ALDH1A2, CRY1 KMT2A 719/4885MEN1 1825/4885MAPT 1561/4885

“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.