SCHEMBL6837589

SCHEMBL6837589

COc1cccc2cc(C(N)=O)oc12.Clc1ccc(N2CC3CCCCC2CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
CHRNA7 P36544 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6837986 0.79 ALDH1A1 (0.60) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL6837744 0.77 ALDH1A1 (0.68) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL4745478 0.74 KMT2A (1.00) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL11107533 0.68 RAB9A (0.79) KMT2AALDH1A1KDM4ENPSR1LMNA
SCHEMBL7427719 0.66 LMNA (0.68) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL6839269 0.66 LMNA (0.60) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL6839051 0.66 ADORA2A (0.72) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL7701242 0.65 ALDH1A1 (0.73) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL3614366 0.65 LMNA (0.75) KMT2AALDH1A1KDM4ELMNARECQL
SCHEMBL11687872 0.64 KMT2A (0.60) KMT2AALDH1A1KDM4ELMNARECQL

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 323/4885KDM4E 3975/4885

“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.