SCHEMBL3967573

SCHEMBL3967573

CC(C)(NCc1ccc(OCc2cccc(Br)c2)cc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.60
PARP10 Q53GL7 2/20 0.60
PARP14 Q460N5 1/20 0.60
MAOB P27338 7/20 0.57
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
MAOA P21397 3/20 0.51
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
ADAM17 P78536 1/20 0.48
SCN9A Q15858 1/20 0.48

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
SCHEMBL3967655 0.89 FFAR1 (0.59) PARP15PARP10PARP14MAOBFFAR1
SCHEMBL3969644 0.86 MAOB (0.57) MAOBMAOA
SCHEMBL1067948 0.86 MAOB (0.65) PARP10MAOBMAOASCN9A
SCHEMBL5681586 0.80 PARP15 (0.50) PARP15PARP10PARP14MAOBFFAR1
SCHEMBL3971405 0.79 NPC1 (0.56) MAOBMAOANPC1RAB9A
SCHEMBL3064569 0.79 MAOB (0.58) PARP10MAOBMAOASCN9A
SCHEMBL4557098 0.79 CA1 (0.39) PARP15PARP10PARP14ALDH1A1MMP2
SCHEMBL3967618 0.78 PARP15 (0.59) PARP15PARP10PARP14MAOBFFAR1
SCHEMBL921429 0.77 NPC1 (0.60) MAOBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8434265 0.77 PARP15 (0.58) PARP15PARP10PARP14MAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102274517-A Methods for treatment of parkinson's disease 2011-12-14 CN claimed
EP-2070526-A1 \"Methods for treatment of Parkinson's disease\ Newron Pharmaceuticals S.p.A. (IT) 2009-06-17 EP claimed
EP-0842143-B3 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2009-02-18 EP claimed
US-20070093495-A1 Methods for treatment of parkinson's disease NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-04-26 US claimed
CN-1771030-A Methods of treating Parkinson's disease NEWRON PHARMACEUTICALS INC (IT) 2006-05-10 CN claimed
EP-1613296-A2 METHODS FOR TREATMENT OF PARKINSON'S DISEASE Newron Pharmaceuticals S.p.A. (IT) 2006-01-11 EP claimed
WO-2004089353-A2 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEWRON PHARMACEUTICALS, S.P.A. (IT) 2004-10-21 WO claimed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP claimed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 WO claimed
US-9492410-B2 Methods for treatment of Parkinson's disease NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-11-15 US disclosed
US-20150150833-A1 Methods For Treatment of Parkinson's Disease NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-04 US disclosed
US-8901176-B2 Methods for treatment of Parkinson's disease NEWRON PHARMACEUTICALS, S.P.A. (IT) 2014-12-02 US disclosed
US-20130053368-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEWRON PHARMACEUTICALS S.P.A (IT) 2013-02-28 US disclosed
WO-2004089353-A2 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEWRON PHARMACEUTICALS, S.P.A. (IT) 2004-10-21 WO disclosed
EP-0842143-B1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES NEWRON PHARM SPA (IT) 2001-06-13 EP disclosed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed
EP-0842143-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-05-20 EP disclosed
WO-1997005102-A1 2-(4-SUBSTITUTED)-BENZYLAMINO-2-METHYL-PROPANAMIDE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-13 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 (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-20130053368-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE MAOB, MAOA, SNCA PARP15 416/4885PARP10 771/4885PARP14 661/4885
US-20070093495-A1 Methods for treatment of parkinson's disease MAOB, MAOA, SNCA PARP15 416/4885PARP10 771/4885PARP14 661/4885
US-20150150833-A1 Methods For Treatment of Parkinson's Disease MAOB, MAOA, SNCA PARP15 416/4885PARP10 771/4885PARP14 661/4885

“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.