Sugi Predict

Sugi Predict / Compounds / SCHEMBL17474342

SCHEMBL17474342

SCHEMBL17474342

c1ccc2c(c1)Sc1cccc(-c3cc(-c4cccc5c4Sc4ccccc4S5)cc(-c4cccc5c4Sc4ccccc4S5)c3)c1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.58
▸ ATM Q13315 2/20 0.41
▸ PRKDC P78527 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ GAA P10253 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
SCHEMBL16166953 0.90 ALOX5 (0.53) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL10985315 0.87 ALOX5 (0.53) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL12489620 0.87 ALOX5 (0.50) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL3078569 0.86 ALOX5 (0.66) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL30320186 0.86 ALOX5 (0.66) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL16165379 0.83 ALOX5 (0.50) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL16634418 0.82 ALOX5 (0.47) ALOX5HDAC6MEN1KMT2AALDH1A1
SCHEMBL16303805 0.81 ALOX5 (0.49) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL3287495 0.81 ALOX5 (0.49) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL12489942 0.81 ALOX5 (0.49) ALOX5ATMPRKDCPIK3CAPIK3CB

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-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 — — US disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — 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 (3 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 ALOX5 445/4885ATM 4288/4885PRKDC 4807/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 ALOX5 445/4885ATM 4288/4885PRKDC 4807/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 ALOX5 445/4885ATM 4288/4885PRKDC 4807/4885

“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.