SCHEMBL5449388

SCHEMBL5449388

CCCC(=NO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DRD4 P21917 1/20 0.43
ESR1 P03372 1/20 0.43
MEN1 O00255 1/20 0.42
PTGS2 P35354 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5449384 1.00 ATM (0.54) ATMSMN1; SMN2KMT2ACES2CES1
SCHEMBL14604957 1.00 ATM (0.54) ATMSMN1; SMN2KMT2ACES2CES1
SCHEMBL5450434 0.88 PTGS2 (0.53) ATMSMN1; SMN2KMT2ACES2CES1
SCHEMBL5450436 0.88 PTGS2 (0.53) ATMSMN1; SMN2KMT2ACES2CES1
SCHEMBL27348181 0.86 KDM4E (0.57) ATMSMN1; SMN2KMT2ACES2CES1
SCHEMBL10783630 0.84 KDM4E (0.59) ATMSMN1; SMN2CES2CES1MAPT
SCHEMBL7418675 0.84 KDM4E (0.59) ATMSMN1; SMN2CES2CES1MAPT
SCHEMBL7418674 0.84 KDM4E (0.59) ATMSMN1; SMN2CES2CES1MAPT
SCHEMBL7924687 0.84 KDM4E (0.59) ATMSMN1; SMN2CES2CES1MAPT
SCHEMBL5995590 0.84 KDM4E (0.59) ATMSMN1; SMN2CES2CES1MAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557274-B1 RECOVERY OF PALLADIUM HENKEL CORP (US) 1994-09-14 EP claimed
EP-0557274-A1 RECOVERY OF PALLADIUM. HENKEL CORP (US) 1993-09-01 EP claimed
EP-0343791-B1 STABILITY-IMPROVED TRIOXANE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-07-29 EP claimed
WO-1992008813-A1 RECOVERY OF PALLADIUM HENKEL CORPORATION (US) 1992-05-29 WO claimed
US-5026875-A Having ketoxime stabilizers; nondegradating, nonpolymerizing, formaldehyde-free MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-25 US claimed
EP-0343791-A1 Stability-improved trioxane composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-11-29 EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
CN-1308294-C Substituted acetophenone oxime derivative and preparation process and use thereof SHANGHAI PESTICIDE INST (CN) 2007-04-04 CN disclosed
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
WO-1992008813-A1 RECOVERY OF PALLADIUM HENKEL CORPORATION (US) 1992-05-29 WO disclosed
US-5026875-A Having ketoxime stabilizers; nondegradating, nonpolymerizing, formaldehyde-free MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-25 US disclosed
EP-0417167-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AlliedSignal Inc. (US) 1991-03-20 EP disclosed
WO-1989011473-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS ALLIED-SIGNAL INC. (US) 1989-11-30 WO disclosed
EP-0343791-A1 Stability-improved trioxane composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-11-29 EP disclosed
EP-0158159-B1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AND THE CONVERSION THEREOF INTO THE CORRESPONDING HYDROXYLAMINE O-SUBSTITUTED AlliedSignal Inc. (US) 1988-10-05 EP disclosed
EP-0158159-A1 Process for the synthesis of o-substituted oxime compounds and the conversion thereof into the corresponding hydroxylamine o-substituted AlliedSignal Inc. (US) 1985-10-16 EP 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 (3 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 ATM 2013/4885SMN1; SMN2 4326/4885KMT2A 2839/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ATM 1162/4885SMN1; SMN2 330/4885KMT2A 373/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ATM 1162/4885SMN1; SMN2 330/4885KMT2A 373/4885

“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.