SCHEMBL18200852

SCHEMBL18200852

Brc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
CYP1A2 P05177 3/20 0.33
G6PD P11413 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL18200730 0.83 RAB9A (0.34) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL18200871 0.83 MAPT (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18200775 0.83 LMNA (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18200864 0.80 MEN1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18201053 0.80 MEN1 (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18200867 0.80 CYP17A1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18200807 0.80 NPC1 (0.42) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL17034862 0.80 NPC1 (0.46) METAP1ALDH1A1LMNAMAPTRAB9A
SCHEMBL17034864 0.80 CYP1B1 (0.44) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL18200530 0.80 CYP1A2 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT

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 METAP1 2608/4885ALDH1A1 85/4885MEN1 1750/4885

“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.