SCHEMBL1457271

SCHEMBL1457271

C#CCNc1c(NC(=O)COCC)c(Cl)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
GLA P06280 2/20 0.44
ACHE P22303 1/20 0.42
TSHR P16473 1/20 0.42
TOP2A P11388 4/20 0.41
GAA P10253 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1457334 0.89 TOP2A (0.45) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14950200 0.87 TOP2A (0.48) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL24879683 0.84 KDM4E (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7637380 0.84 KDM4E (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5800900 0.84 TOP2A (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL8571971 0.82 KDM4E (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1456618 0.79 BCHE (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1457309 0.73 ACP1 (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1456601 0.71 ACHE (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20766797 0.71 GAA (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HTT

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-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 WO 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 KDM4E 3807/4885ALDH1A1 922/4885RAB9A 2832/4885

“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.