SCHEMBL18201096

SCHEMBL18201096

c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3ccccc34)c2)cc(-c2cn3ccccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.51
▸ BACE2 Q9Y5Z0 3/20 0.51
▸ KDM4E B2RXH2 11/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ RAB9A P51151 9/20 0.44
▸ GFER P55789 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MIF P14174 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 4/20 0.43
▸ NPC1 O15118 7/20 0.41

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
SCHEMBL18201097 0.96 BACE1 (0.47) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18200439 0.96 BACE1 (0.49) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18201085 0.89 TLR9 (0.44) BACE1BACE2KDM4EALDH1A1KMT2A
SCHEMBL18200435 0.88 RAB9A (0.50) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18201092 0.87 ALDH1A3 (0.53) KDM4EALDH1A1KMT2AHSD17B10RAB9A
SCHEMBL18200659 0.86 BACE1 (0.46) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL17915389 0.85 BACE1 (0.54) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18200933 0.85 BACE1 (0.45) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18847094 0.84 BACE1 (0.46) BACE1BACE2KDM4EALDH1A1MEN1
SCHEMBL18847491 0.84 BACE1 (0.46) BACE1BACE2KDM4EALDH1A1MEN1

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 BACE1 206/4885BACE2 369/4885KDM4E 1977/4885

“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.

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