SCHEMBL13164166

SCHEMBL13164166

CS(=O)(=O)Nc1cc(CN)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
MAOA P21397 1/20 0.48
ADRA2C P18825 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 1/20 0.46
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
PTK2 Q05397 1/20 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
SCHEMBL29468004 1.00 KDM1A (0.48) KDM1AMAOAADRA2CADRA1AADRA1B
SCHEMBL5508431 0.89 ADRA2C (0.50) KDM1AMAOAADRA2CADRA1AADRA1B
SCHEMBL1659054 0.87 TRPV1 (0.52)
Ammonia Solution, Strong SCHEMBL2211138 0.85 TRPV1 (0.51)
Hydrochloric Acid SCHEMBL1474450 0.85 TRPV1 (0.51)
SCHEMBL8194137 0.85 MAPT (0.47) KDM1AMAOAADRA2CADRA1AADRA2A
SCHEMBL10208409 0.81 TRPV1 (0.44) KDM1AMAOA
SCHEMBL20782057 0.81 TRPV1 (0.44) KDM1AMAOAADRA2CADRA1AADRA2A
SCHEMBL8217570 0.81 KDM1A (0.43) KDM1AMAOAADRA2CADRA1AADRA2A
SCHEMBL6490087 0.80 ADRA2A (0.44) KDM1AMAOAADRA2CADRA1AADRA2A

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
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 KDM1A 2074/4885MAOA 337/4885ADRA2C 4284/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM1A 2074/4885MAOA 337/4885ADRA2C 4284/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM1A 2074/4885MAOA 337/4885ADRA2C 4284/4885

“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.