SCHEMBL6837488

SCHEMBL6837488

COc1ccc(CNC2CCCCC2)c2cc(C(=O)NCCc3ccccc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
TAAR1 Q96RJ0 3/20 0.45
EPHX1 P07099 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6837837 1.00 MEN1 (0.52) MEN1KMT2APKMNPC1RAB9A
SCHEMBL6839357 0.99 MEN1 (0.51) MEN1KMT2APKMNPC1RAB9A
SCHEMBL6836429 0.97 NPC1 (0.49) MEN1KMT2APKMNPC1RAB9A
SCHEMBL6836671 0.95 KMT2A (0.47) MEN1KMT2APKMNPC1RAB9A
SCHEMBL6833285 0.92 ADRA2A (0.45) MEN1KMT2APKMNPC1RAB9A
SCHEMBL6837945 0.92 MEN1 (0.47) MEN1KMT2APKMADRA2AADRA2B
SCHEMBL6839429 0.92 MEN1 (0.47) MEN1KMT2APKMADRA2AADRA2B
SCHEMBL6837767 0.91 HTT (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837873 0.89 HTT (0.48) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL6837851 0.87 MEN1 (0.48) MEN1KMT2ANPC1RAB9AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 MEN1 4379/4885KMT2A 4289/4885PKM 4319/4885

“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.