SCHEMBL3501047

SCHEMBL3501047

NC(=O)C1=Cc2ccccc2NN=C1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 3/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
BCAT2 O15382 1/20 0.30

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
SCHEMBL3519587 0.85 GAA (0.31) MAPTTSHR
SCHEMBL6743139 0.83 GAA (0.32)
SCHEMBL6268407 0.83 F2 (0.31) BLM
SCHEMBL8801321 0.77 EPHX1 (0.36)
SCHEMBL3516653 0.76 KDM4E (0.31)
SCHEMBL10875377 0.74 CCNC (0.31)
SCHEMBL8801323 0.74 NR4A2 (0.35)
Hydrochloric Acid SCHEMBL4483575 0.72 GAA (0.31) MAPT
SCHEMBL1656527 0.71 TSHR (0.33) POLBCYP3A4PARP1MAPTTSHR
SCHEMBL8329648 0.71 AKR1B1 (0.36) TSHRHSD17B10TDP1

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 11 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
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
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

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-20050272722-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN POLB 1919/4885CYP3A4 4671/4885PARP1 3376/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 POLB 2016/4885CYP3A4 2825/4885PARP1 3512/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN POLB 1919/4885CYP3A4 4671/4885PARP1 3376/4885

“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.