SCHEMBL6777567

SCHEMBL6777567

Cc1nnc(-c2nsc3ccccc23)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
EPAS1 Q99814 8/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GPR3 P46089 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30987223 0.75 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL28563540 0.75 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL6771391 0.73 HTT (0.44) MAPTALDH1A1PKMKMT2ASMN1; SMN2
SCHEMBL11359600 0.70 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL6964514 0.69 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL12329 0.68 MAPT (0.56) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL21091032 0.67 ALDH1A1 (0.51) MAPTKDM4EALDH1A1HSD17B10NPC1
SCHEMBL24157346 0.67 TDP1 (0.46) MAPTKDM4EALDH1A1HSD17B10NPC1
SCHEMBL8011756 0.67 ALDH1A1 (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL2421712 0.66 ALDH1A1 (0.57) KDM4EALDH1A1NPC1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT MAPT 3311/4885KDM4E 936/4885ALDH1A1 201/4885

“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.