SCHEMBL21822116

SCHEMBL21822116

N=C(N)c1ccc2cc(C(=O)NCC3CCNCC3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.57
▸ ITGA2B P08514 9/20 0.57
▸ PLG P00747 1/20 0.53
▸ PLAU P00749 1/20 0.53
▸ F2 P00734 2/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ TPSD1 Q9BZJ3 2/20 0.47
▸ TPSG1 Q9NRR2 2/20 0.47
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL18767312 0.80 MAOB (0.67) NAMPT
SCHEMBL8260024 0.76 ALOX15 (0.59) —
SCHEMBL32665962 0.74 SMYD3 (0.60) ITGB3ITGA2BPLGPLAUF2
SCHEMBL22534020 0.74 MAOB (0.60) —
SCHEMBL5677018 0.73 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL23458866 0.73 NPC1 (0.47) —
SCHEMBL29919245 0.73 NPC1 (0.47) —
SCHEMBL6885051 0.72 KDM4E (0.67) —
SCHEMBL31568853 0.72 DRD2 (0.47) NAMPT
SCHEMBL23482264 0.72 DRD2 (0.47) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO 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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ITGB3 2374/4885ITGA2B 2429/4885PLG 225/4885

“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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