SCHEMBL6837814

SCHEMBL6837814

COc1ccc(NC(=O)c2cc3c(CNCCc4ccccc4)ccc(OC)c3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ATM Q13315 1/20 0.49
SLC6A5 Q9Y345 1/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
FPR2 P25090 1/20 0.46
BCHE P06276 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6838101 0.95 SLC6A5 (0.46) MEN1KMT2AATMSLC6A5MAPT
SCHEMBL6836454 0.94 HTT (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6836878 0.92 SMN1; SMN2 (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6839367 0.90 PTGDR2 (0.45) KMT2AMAPTSMN1; SMN2RAB9ATP53
SCHEMBL6837974 0.89 NPC1 (0.45) KMT2AMAPTRAB9ANPC1KDM4E
SCHEMBL6838004 0.87 THRB (0.49) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6833261 0.86 CNR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6837885 0.86 NPC1 (0.53) MEN1KMT2ASLC6A5MAPTSMN1; SMN2
SCHEMBL6837546 0.85 KMT2A (0.48) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6839360 0.85 PDE4A (0.47) MEN1KMT2AATMMAPTSMN1; 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 MEN1 4379/4885KMT2A 4289/4885ATM 4588/4885

“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.