SCHEMBL18200599

SCHEMBL18200599

c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.42
ADORA2A P29274 1/20 0.42
DHODH Q02127 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
NPY1R P25929 1/20 0.40
HTT P42858 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18200532 0.96 LMNA (0.41) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18200636 0.95 MAPT (0.44) NUDT1ADORA2APDE10AMEN1KMT2A
SCHEMBL18200482 0.94 MEN1 (0.50) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18200601 0.94 NUDT1 (0.47) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18200600 0.94 NUDT1 (0.47) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18200825 0.93 MEN1 (0.49) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18201029 0.93 CA12 (0.42) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL17034913 0.92 MAPT (0.46) NUDT1ADORA2APDE10AMEN1KMT2A
SCHEMBL18200361 0.92 NUDT1 (0.38) NUDT1ADORA2ADHODHPDE10AMEN1
SCHEMBL18201124 0.92 MEN1 (0.51) NUDT1ADORA2ADHODHPDE10AMEN1

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 NUDT1 347/4885ADORA2A 2482/4885DHODH 33/4885

“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.