SCHEMBL6448258

SCHEMBL6448258

CC(C([O])=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
F2RL1 P55085 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL27693248 0.86 FPR2 (0.44) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL28626525 0.84 FPR2 (0.43) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL570524 0.84 ADRA2A (0.47) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL5460567 0.82 CSNK1A1 (0.44) FPR2ADRA2AADRA2BADRA2CMMP1
Hydrochloric Acid SCHEMBL28220351 0.82 ADRA2A (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
Bromide SCHEMBL28219788 0.82 ADRA2A (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL1362893 0.79 FPR2 (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
Bicarbonate SCHEMBL28002052 0.78 ADRA2A (0.46) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL4411652 0.78 MMP1 (0.43) FPR2ADRA2AADRA2BADRA2CMMP1
SCHEMBL6171373 0.77 ALDH1A1 (0.42) FPR2ADRA2AADRA2BADRA2CMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 FPR2 2057/4885ADRA2A 490/4885ADRA2B 492/4885

“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.