SCHEMBL6836621

SCHEMBL6836621

COc1ccc(CCNCCc2ccccc2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
HSD17B10 Q99714 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.47
SLC2A1 P11166 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 4/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 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
SCHEMBL6837885 0.89 NPC1 (0.53) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6833183 0.88 HTT (0.49) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6837902 0.88 NPC1 (0.52) HSD17B10MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6837691 0.87 HTT (0.53) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6833204 0.86 SLC6A5 (0.52) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL6836660 0.86 HTT (0.50) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6836620 0.85 HTT (0.47) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6833132 0.85 HTT (0.52) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6837620 0.85 SMN1; SMN2 (0.53) HTTHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL6833303 0.85 NPC1 (0.51) HTTHSD17B10MEN1KMT2ASMN1; 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 HTT 2698/4885HSD17B10 153/4885MEN1 4379/4885

“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.