SCHEMBL14749431

SCHEMBL14749431

O=S(=O)(Cc1ccccc1)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PRCP P42785 8/20 0.53
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14749406 0.91 PRCP (0.48) LMNATSHRNPSR1PRCPALDH1A1
SCHEMBL14749424 0.91 LMNA (0.47) LMNATSHRNPSR1PRCPALDH1A1
SCHEMBL14749430 0.85 PRCP (0.51) LMNATSHRNPSR1PRCPSMN1; SMN2
SCHEMBL14749429 0.84 LMNA (0.46) LMNATSHRNPSR1PRCP
SCHEMBL14749369 0.84 PRCP (0.59) PRCP
SCHEMBL14749404 0.84 PRCP (0.45) LMNATSHRNPSR1PRCPMAPT
SCHEMBL14749419 0.84 PRCP (0.51) LMNATSHRNPSR1PRCPMEN1
SCHEMBL14736597 0.83 PRCP (0.48) LMNATSHRNPSR1PRCPALDH1A1
SCHEMBL14749368 0.83 PRCP (0.67) PRCP
SCHEMBL14749425 0.81 PRCP (0.47) LMNATSHRNPSR1PRCPMAPT

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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — US disclosed
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 — — 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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP LMNA 3736/4885TSHR 3548/4885NPSR1 3402/4885

“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.

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