SCHEMBL6825859

SCHEMBL6825859

Brc1c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TP53 P04637 3/20 0.53
ADORA3 P0DMS8 3/20 0.53
CA12 O43570 2/20 0.53
ABCB1 P08183 2/20 0.53
AR P10275 2/20 0.53
CYP1B1 Q16678 2/20 0.53
CA9 Q16790 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
DDR2 Q16832 1/20 0.53
CALM1 P0DP23 1/20 0.53
PKM P14618 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.50

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
SCHEMBL22960257 0.87 CHRM2 (0.53) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL1534666 0.85 KMT2A (0.65) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL29501080 0.85 KMT2A (0.65) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL28356532 0.85 LMNA (0.58) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL6825720 0.85 MAPK14 (0.52) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL25824773 0.81 PLA2G2A (0.47) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL28356499 0.81 MEN1 (0.53) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL29316396 0.80 KMT2A (0.46) KMT2ACYP3A4MEN1KDM4ELMNA
SCHEMBL25824780 0.78 ANO1 (0.43) KMT2ACYP3A4MEN1KDM4ETP53
SCHEMBL592430 0.77 CA1 (0.55) KMT2ACYP3A4MEN1KDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132488-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023121082-A1 NOVEL ORGANIC LIGHT EMITTING DEVICE COMPRISING TWO LIGHT EMITTING LAYERS 에스에프씨 주식회사 2023-06-29 WO disclosed
CN-110760877-B Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2021-01-29 CN disclosed
CN-110760877-A Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2020-02-07 CN disclosed
US-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use NITROMED, INC. (US) 2007-10-11 US disclosed
CN-1816553-A Process for the preparation of furopyrroles CIBA SC HOLDING AG (CH) 2006-08-09 CN disclosed
WO-2004089939-A1 CONDENSED FURAN DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-21 WO 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-20070238740-A1 Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use REN, ECE1, EDNRA KMT2A 4254/4885CYP3A4 970/4885MEN1 1130/4885

“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.