SCHEMBL6772447

SCHEMBL6772447

O=C(c1cccnc1-c1ccccc1Cl)c1cccnc1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.58
DPP4 P27487 1/20 0.53
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNA5 P22460 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
S100A4 P26447 1/20 0.43
CDC25B P30305 1/20 0.43
RECQL P46063 1/20 0.42
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GRM4 Q14833 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL6206542 0.88 KDM4E (0.65) RORBDPP4KDM4ETDP1KCNA5
SCHEMBL29574354 0.88 KDM4E (0.65) RORBDPP4KDM4ETDP1KCNA5
SCHEMBL28062810 0.87 SMN1; SMN2 (0.55) RORBDPP4KDM4ETDP1KCNA5
SCHEMBL29574044 0.83 SLC6A4 (0.50) RORBDPP4KDM4ETDP1SMN1; SMN2
SCHEMBL22717702 0.83 SLC6A4 (0.50) RORBDPP4KDM4ETDP1SMN1; SMN2
SCHEMBL2993999 0.81 KMT2A (0.57) KDM4ESMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7749390 0.81 KDM4E (0.63) RORBKDM4ETDP1SMN1; SMN2LMNA
SCHEMBL20821396 0.79 DPP4 (0.65) DPP4KDM4ETDP1KCNA5SMN1; SMN2
SCHEMBL1643623 0.79 MAPK14 (0.53) RORBDPP4LMNAKMT2ARECQL
SCHEMBL26919304 0.78 KDM4E (0.59) RORBDPP4KDM4ETDP1SMN1; 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 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 RORB 3887/4885DPP4 145/4885KDM4E 936/4885

“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.