SCHEMBL6833320

SCHEMBL6833320

COc1ccc(CNCCc2ccccc2)c2cc(C(=O)N[C@@H](C)c3ccccc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
RCE1 Q9Y256 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SMPD1 P17405 1/20 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
SCHEMBL6833318 1.00 KMT2A (0.45) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6836453 0.95 EPHX2 (0.45) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6836455 0.95 EPHX2 (0.45) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6838019 0.92 ALDH1A1 (0.44) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6838021 0.92 ALDH1A1 (0.44) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6837748 0.92 ALDH1A1 (0.46) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6837747 0.92 ALDH1A1 (0.46) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6839458 0.90 C5 (0.45) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6839454 0.90 C5 (0.45) KMT2AALDH1A1GAAPKMLMNA
SCHEMBL6837574 0.90 ALDH1A1 (0.46) KMT2AALDH1A1GAAPKMLMNA

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 KMT2A 4289/4885ALDH1A1 323/4885GAA 2909/4885

“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.