SCHEMBL16723596

SCHEMBL16723596

CC1(C)c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2c1ccc1c2Sc2ccccc2S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.36
KMT2A Q03164 13/20 0.36
ALDH1A1 P00352 9/20 0.36
HPGD P15428 9/20 0.36
MAPT P10636 8/20 0.36
NTSR1 P30989 1/20 0.36
KDM4E B2RXH2 6/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.32
ATM Q13315 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16723878 0.87 ALOX5 (0.36)
SCHEMBL16723923 0.86 ALOX5 (0.37)
SCHEMBL16723903 0.85 ALOX5 (0.35)
SCHEMBL16723936 0.84 ALOX5 (0.32)
SCHEMBL16723595 0.84 ALOX5 (0.32)
SCHEMBL19777618 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19777614 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19777622 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19777619 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL16723926 0.81 ALOX5 (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 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-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE OR51E2, AOX1, OCIAD1 MEN1 2370/4885KMT2A 2690/4885ALDH1A1 21/4885

“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.