SCHEMBL3501053

SCHEMBL3501053

O=C(CC1c2ccccc2-c2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
FNTA P49354 11/20 0.42
FNTB P49356 11/20 0.42
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3500085 0.80 FNTA (0.45) TSHRFNTAFNTBCACNA1GCACNA1H
SCHEMBL3501706 0.79 FNTA (0.67) TSHRFNTAFNTBCACNA1GCACNA1H
SCHEMBL3499620 0.79 CACNA1G (0.47) TSHRFNTAFNTBCACNA1GCACNA1H
SCHEMBL3499472 0.79 FNTA (0.49) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3500544 0.79 FNTA (0.46) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3499471 0.79 FNTA (0.44) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL12405643 0.77 BRD4 (0.36) TSHRALDH1A1MAPK1MEN1MAPT
SCHEMBL3501649 0.77 FNTA (0.66) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3499648 0.76 FNTA (0.70) TSHRFNTAFNTBCACNA1GCACNA1H
SCHEMBL6616760 0.76 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 13 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
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 TSHR 3749/4885FNTA 24/4885FNTB 49/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 TSHR 3968/4885FNTA 19/4885FNTB 24/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN TSHR 3749/4885FNTA 24/4885FNTB 49/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF TSHR 1139/4885FNTA 1/4885FNTB 2/4885

“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.