SCHEMBL20174522

SCHEMBL20174522

c1ccc2c(c1)-c1ccccc1C21c2ccc(-c3cccc4cccnc34)cc2-c2sc3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
ALOX5 P09917 1/20 0.36
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
METAP2 P50579 1/20 0.34
BACE1 P56817 1/20 0.34
CCR1 P32246 3/20 0.33
CCR8 P51685 3/20 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
SCHEMBL20174563 0.95 KDM4E (0.35) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL20174560 0.91 KDM4E (0.34) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL18590030 0.87 KDM4E (0.33) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL20174547 0.85 LMNA (0.34) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL20174534 0.84 PDK2 (0.45) MAPTALDH1A1KDM4EALOX5TP53
SCHEMBL20174542 0.82 PDK2 (0.41) MAPTALDH1A1KDM4EALOX5BACE1
SCHEMBL20174646 0.81 KDM4E (0.38) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL18590024 0.81 BACE1 (0.33) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL20174521 0.81 S1PR1 (0.35) MAPTALDH1A1KDM4EALOX5HDAC8
SCHEMBL20174554 0.79 LMNA (0.35) MAPTALDH1A1KDM4ELMNAMEN1

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 MAPT 811/4885ALDH1A1 33/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MAPT 811/4885ALDH1A1 33/4885KDM4E 3633/4885

“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.