SCHEMBL3501605

SCHEMBL3501605

O=C(CSc1ccc2ccccc2c1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FNTA P49354 10/20 0.42
FNTB P49356 10/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL3499471 0.85 FNTA (0.44) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3500364 0.83 TSHR (0.48) KDM4EFNTAFNTBALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5583305 0.80 FNTA (0.42) FNTAFNTBCACNA1GCACNA1HCACNA1I
SCHEMBL3502116 0.79 FNTA (0.45) KDM4EFNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL3499472 0.78 FNTA (0.49) KDM4EFNTAFNTBMEN1KMT2A
SCHEMBL3499620 0.77 CACNA1G (0.47) MAPTFNTAFNTBSMN1; SMN2CACNA1G
SCHEMBL3500085 0.76 FNTA (0.45) KDM4EMAPTFNTAFNTBALDH1A1
SCHEMBL2364392 0.76 FNTA (0.68) FNTAFNTB
SCHEMBL3501053 0.75 TSHR (0.45) KDM4EMAPTFNTAFNTBALDH1A1
SCHEMBL3500544 0.75 FNTA (0.46) KDM4EFNTAFNTBALDH1A1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP claimed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US claimed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP claimed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO 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-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 US 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-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 (5 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 L3MBTL1 956/4885ATM 3189/4885KDM4E 3915/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 L3MBTL1 4766/4885ATM 363/4885KDM4E 1422/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 L3MBTL1 754/4885ATM 3261/4885KDM4E 3399/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN L3MBTL1 956/4885ATM 3189/4885KDM4E 3915/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF L3MBTL1 2294/4885ATM 2009/4885KDM4E 3433/4885

“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.