SCHEMBL6445127

SCHEMBL6445127

C=[C]c1ccc2[nH]ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.66
IMPDH1 P20839 1/20 0.66
GFER P55789 1/20 0.51
AHR P35869 4/20 0.50
NR4A2 P43354 2/20 0.50
CYP2A6 P11509 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.43
F2 P00734 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL91366 0.79 IMPDH2 (1.00) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL30389000 0.79 IMPDH2 (1.00) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL97207 0.79 IMPDH2 (0.66) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL1022937 0.79 IMPDH2 (0.66) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL28194905 0.78 IMPDH2 (0.96) IMPDH2IMPDH1GFERAHRNR4A2
Hydrochloric Acid SCHEMBL27803164 0.78 IMPDH2 (0.96) IMPDH2IMPDH1GFERAHRNR4A2
Methyl Alcohol SCHEMBL27844152 0.75 IMPDH2 (0.89) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL1080464 0.75 GFER (0.69) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL27893006 0.72 IMPDH2 (0.56) IMPDH2IMPDH1GFERAHRNR4A2
SCHEMBL28205154 0.72 IMPDH2 (0.56) IMPDH2IMPDH1GFERAHRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 IMPDH2 2017/4885IMPDH1 1953/4885GFER 2932/4885

“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.