SCHEMBL3501091

SCHEMBL3501091

O=C(Nc1ccc2c(c1)N(Cc1c[nH]cn1)CC(Cc1ccccc1)N(C(=O)O)C2)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACKR3 P25106 6/20 0.37
ROCK2 O75116 1/20 0.37
CCR2 P41597 1/20 0.37
ROCK1 Q13464 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP19A1 P11511 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3502090 0.94 FNTA (0.48) FNTAFNTBKDM4EALDH1A1ACKR3
SCHEMBL6632164 0.91 NPC1 (0.39) FNTAFNTBCYP19A1
SCHEMBL3499254 0.90 FNTA (0.43) FNTAFNTBKDM4EALDH1A1ACKR3
SCHEMBL3501016 0.88 FNTA (0.46) FNTAFNTBCYP19A1
SCHEMBL6634720 0.85 FNTA (0.40) FNTAFNTBKDM4EALDH1A1ACKR3
SCHEMBL6637954 0.82 FNTA (0.46) FNTAFNTB
SCHEMBL6633491 0.82 USP30 (0.43) FNTAFNTBKDM4EALDH1A1ACKR3
SCHEMBL3502066 0.80 FNTA (0.46) FNTAFNTB
SCHEMBL3498412 0.80 FNTA (0.41) FNTAFNTBKDM4EALDH1A1HSD17B10
SCHEMBL7245829 0.79 ACKR3 (0.38) FNTAFNTBKDM4EALDH1A1ACKR3

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 22 patents — showing the first 20. 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
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
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO 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
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP 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
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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 (2 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-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 FNTA 19/4885FNTB 24/4885KDM4E 3399/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF FNTA 1/4885FNTB 2/4885KDM4E 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.