SCHEMBL6833341

SCHEMBL6833341

COc1ccc(CNCCc2ccccn2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6837938 0.94 MEN1 (0.48) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6839299 0.92 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6837537 0.90 ALOX15 (0.46) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6837586 0.86 ALOX15 (0.43) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6837587 0.86 ALOX15 (0.43) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6833183 0.85 HTT (0.49) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL6836660 0.85 HTT (0.50) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL6837691 0.85 HTT (0.53) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6837606 0.85 L3MBTL1 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6837885 0.84 NPC1 (0.53) ALDH1A1MEN1KMT2AHSD17B10SMN1; SMN2

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 ALDH1A1 323/4885MEN1 4379/4885KMT2A 4289/4885

“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.