SCHEMBL6093178

SCHEMBL6093178

Nc1ncnc2ccc(NC(=O)[C@@H]3CCCN3C(=O)CNC(c3ccccc3)(c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.46
TRPV1 Q8NER1 1/20 0.41
CFD P00746 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6093993 0.83 MAP4K4 (0.53) MAP4K4ALDH1A1NPSR1
SCHEMBL4393356 0.80 TSHR (0.62) ALDH1A1NPSR1
SCHEMBL6092021 0.80 TSHR (0.62) ALDH1A1NPSR1
SCHEMBL4971281 0.78 MAP4K4 (0.51) MAP4K4NPSR1
SCHEMBL6092954 0.73 ACE (0.49) ALDH1A1
SCHEMBL4381414 0.70 HTT (0.49) TRPV1ALDH1A1NPSR1
SCHEMBL10972811 0.69 MAP4K4 (0.73) MAP4K4
SCHEMBL6092150 0.68 TSHR (0.63) ALDH1A1NPSR1
SCHEMBL4389654 0.68 TSHR (0.63) ALDH1A1NPSR1
SCHEMBL4969268 0.66 NPSR1 (0.50) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US claimed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 MAP4K4 2312/4885TRPV1 3203/4885CFD 34/4885

“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.