SCHEMBL3304403

SCHEMBL3304403

COC1CN(C(=O)c2cc3c(s2)C(C)CN(C)CC3)CC1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 3/20 0.37
F11 P03951 2/20 0.37

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
SCHEMBL13395119 1.00 F10 (0.40) F10LMNAMAPK1KMT2AF2
SCHEMBL13395115 0.91 F10 (0.42) F10LMNAMAPK1KMT2AF2
SCHEMBL3306290 0.91 F10 (0.42) F10LMNAMAPK1KMT2AF2
SCHEMBL13395099 0.89 F10 (0.43) F10LMNAMAPK1KMT2AF2
SCHEMBL3308325 0.89 F10 (0.43) F10LMNAMAPK1KMT2AF2
SCHEMBL4435127 0.88 F10 (0.32) F10LMNAMAPK1KMT2A
SCHEMBL8509610 0.87 F10 (0.47) F10LMNAMAPK1KMT2AF2
SCHEMBL3306401 0.87 F10 (0.47) F10LMNAMAPK1KMT2AF2
SCHEMBL13395166 0.86 F10 (0.41) F10F2F11
SCHEMBL3307604 0.86 F10 (0.41) F10F2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD F10 2924/4885LMNA 3711/4885MAPK1 2494/4885

“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.