SCHEMBL6833294

SCHEMBL6833294

COc1cccc2cc(C(=O)Nc3ccccc3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
KMT2A Q03164 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MEN1 O00255 4/20 0.66
LMNA P02545 1/20 0.64
RECQL P46063 1/20 0.64
ALDH1A1 P00352 2/20 0.63
MAPT P10636 5/20 0.62
KDM4E B2RXH2 2/20 0.61
MMP2 P08253 1/20 0.61
MMP14 P50281 1/20 0.61
TP53 P04637 3/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CHRNA7 P36544 1/20 0.56
HTT P42858 2/20 0.56

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
SCHEMBL6837523 0.90 MAPT (0.67) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6839269 0.89 LMNA (0.60) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6839379 0.88 MAPT (0.63) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6839243 0.87 NPC1 (0.74) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6836763 0.87 MAPT (0.59) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL5867094 0.86 MEN1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL981812 0.84 MAPT (0.78) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL5584565 0.83 RAB9A (0.72) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6280292 0.83 NPC1 (0.65) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL5584871 0.82 KMT2A (0.72) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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 RAB9A 2778/4885NPC1 956/4885KMT2A 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.