SCHEMBL6838101

SCHEMBL6838101

COc1ccc(NC(=O)c2cc3c(CNCCCc4ccccc4)ccc(OC)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL6837814 0.95 MEN1 (0.49) SLC6A5MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL6837974 0.94 NPC1 (0.45) POLBMAPTRAB9ANPC1LMNA
SCHEMBL6833261 0.92 CNR1 (0.47) POLBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL6838087 0.91 NR1H4 (0.43) POLBMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6836454 0.89 HTT (0.46) POLBMAPTRAB9AALDH1A1NPC1
SCHEMBL6833213 0.87 THRB (0.50) POLBMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6837907 0.87 SLC6A5 (0.48) SLC6A5SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL6836878 0.86 SMN1; SMN2 (0.47) POLBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL6833183 0.86 HTT (0.49) SMN1; SMN2ALDH1A1TP53TSHRLMNA
SCHEMBL6836625 0.86 NPC1 (0.50) SLC6A5MAPTSMN1; SMN2RAB9AALDH1A1

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 SLC6A5 4107/4885POLB 1985/4885MAPT 3600/4885

“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.