SCHEMBL3501118

SCHEMBL3501118

O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.47
FNTB P49356 8/20 0.47
SLC6A7 Q99884 1/20 0.45
NPC1 O15118 1/20 0.44
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL3501615 0.92 MEN1 (0.47) FNTAFNTBMGLLKDM4EALDH1A1
SCHEMBL3500364 0.86 TSHR (0.48) FNTAFNTBNPC1POLBKDM4E
SCHEMBL3502028 0.83 FNTA (0.48) FNTAFNTBSLC6A7MGLLKDM4E
SCHEMBL3499648 0.82 FNTA (0.70) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3501706 0.81 FNTA (0.67) FNTAFNTBSLC6A7CACNA1GCACNA1H
SCHEMBL3502482 0.80 FNTA (0.52) FNTAFNTBSLC6A7POLBL3MBTL1
SCHEMBL3499537 0.80 FNTA (0.49) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3501649 0.79 FNTA (0.66) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL2364392 0.78 FNTA (0.68) FNTAFNTB
SCHEMBL6616760 0.78 MAPK1 (0.47) FNTAFNTBCACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP claimed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
US-20050272722-A1 Methods for the treatment of synucleinopathies THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-08 US disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 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 (4 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-20050272722-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885FNTB 49/4885SLC6A7 1572/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 FNTA 19/4885FNTB 24/4885SLC6A7 2279/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN FNTA 24/4885FNTB 49/4885SLC6A7 1572/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF FNTA 1/4885FNTB 2/4885SLC6A7 3194/4885

“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.