SCHEMBL6995795

SCHEMBL6995795

NC(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NISCH Q9Y2I1 2/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F2RL1 P55085 8/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL2831573 0.97 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL4363951 0.81 MTOR (0.47) NISCHMTORADKADRA2AADRA2B
SCHEMBL2576594 0.80
SCHEMBL1905054 0.80
SCHEMBL7406986 0.80
Hydrochloric Acid SCHEMBL25337587 0.78 ADRA2A (0.45) ALDH1A1SMN1; SMN2NISCHMTORADK
Hydrochloric Acid SCHEMBL29908311 0.78
SCHEMBL2469423 0.78 FPR2 (0.42) ADRA2AADRA2BADRA2CF2RL1FPR2
SCHEMBL2472566 0.78 FPR2 (0.43) NISCHMTORADKADRA2AADRA2B
SCHEMBL2471280 0.78 NISCH (0.50) ALDH1A1SMN1; SMN2NISCHMTORADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150110716-A1 METHODS OF USING SPECT/CT ANALYSIS FOR STAGING CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-04-23 US claimed
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP claimed
CN-117820098-A Method for preparing linear aldehyde by olefin selective hydroformylation 复旦大学 2024-04-05 CN disclosed
EP-3057620-A2 METHODS OF USING SPECT/CT ANALYSIS FOR STAGING CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058151-A2 METHODS OF USING SPECT/CT ANALYSIS FOR STAGING CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-04-23 WO disclosed
US-20150110716-A1 METHODS OF USING SPECT/CT ANALYSIS FOR STAGING CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 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 (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-20150110716-A1 METHODS OF USING SPECT/CT ANALYSIS FOR STAGING CANCER KLK3, SHBG, FOLH1 ALDH1A1 2956/4885SMN1; SMN2 4018/4885NISCH 3590/4885

“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.