SCHEMBL18201029

SCHEMBL18201029

c1cc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
DHODH Q02127 2/20 0.38
ADORA2A P29274 1/20 0.38
NUDT1 P36639 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE10A Q9Y233 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
NPY1R P25929 1/20 0.37

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
SCHEMBL18200639 0.93 MAPT (0.41) CA12CA1CA2CA9MCL1
SCHEMBL18200599 0.93 NUDT1 (0.42) DHODHADORA2ANUDT1ALDH1A1MAPT
SCHEMBL18201034 0.92 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL18200646 0.90 ENPP3 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL18200527 0.90 ATM (0.42) CA12CA1CA2CA9DHODH
SCHEMBL18200532 0.89 LMNA (0.41) DHODHADORA2ANUDT1ALDH1A1MAPT
SCHEMBL18200832 0.89 MEN1 (0.41) CA12CA1CA2CA9DHODH
SCHEMBL18200636 0.89 MAPT (0.44) ADORA2ANUDT1ALDH1A1MAPTHPGD
SCHEMBL18201123 0.88 MEN1 (0.46) CA12CA1CA2CA9DHODH
SCHEMBL18200482 0.88 MEN1 (0.50) DHODHADORA2ANUDT1ALDH1A1MAPT

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 CA12 3881/4885CA1 4196/4885CA2 4563/4885

“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.