SCHEMBL20174546

SCHEMBL20174546

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4s3)c2-c2sc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 3/20 0.38
GLA P06280 2/20 0.38
S1PR2 O95136 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL20174557 0.83 AR (0.40) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL24648303 0.83 KDM4E (0.53) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20174675 0.83 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20174543 0.81 ACACA (0.38) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL22326556 0.79 MAPT (0.41) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22326548 0.79 NPSR1 (0.45) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20174487 0.79 ALOX5 (0.33) KDM4ERAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20174510 0.78 KDM4E (0.41) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20174544 0.78 ALDH1A1 (0.31) KDM4EALDH1A1MEN1KMT2A
SCHEMBL20174452 0.77 L3MBTL1 (0.34) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG KDM4E 3633/4885RAB9A 2250/4885NPC1 2492/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885RAB9A 2250/4885NPC1 2492/4885

“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.