SCHEMBL18201042

SCHEMBL18201042

c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ATR Q13535 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
TOP2A P11388 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL18200477 0.95 MEN1 (0.38) MEN1KMT2ACYP11B1CYP11B2ATR
SCHEMBL18200667 0.92 ATR (0.43) CYP11B1CYP11B2ATRNPC1TOP2A
SCHEMBL18200723 0.91 MAPT (0.35) MEN1KMT2ACYP11B1CYP11B2ATR
SCHEMBL18200864 0.90 MEN1 (0.39) MEN1KMT2AATRKDM4EALDH1A1
SCHEMBL18201292 0.89 CYP1A2 (0.42) ATRKDM4EALDH1A1HPGDNPC1
SCHEMBL18201113 0.88 MAPT (0.40) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL18200571 0.87 MEN1 (0.37) MEN1KMT2AATRKDM4EALDH1A1
SCHEMBL18200378 0.85 MEN1 (0.36) MEN1KMT2ACYP11B1CYP11B2ATR
SCHEMBL18200819 0.85 MEN1 (0.42) MEN1KMT2ACYP11B1CYP11B2ATR
SCHEMBL18201187 0.85 MAPT (0.38) CYP11B1CYP11B2KDM4EALDH1A1HPGD

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 MEN1 1750/4885KMT2A 1104/4885CYP11B1 1123/4885

“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.