SCHEMBL21822542

SCHEMBL21822542

N=C(N)c1ccc2cc(C(=O)NCC3CCNCC3)n(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.44
▸ F10 P00742 10/20 0.42
▸ ACSS2 Q9NR19 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PRSS1 P07477 6/20 0.40
▸ F2 P00734 5/20 0.40
▸ PRSS2 P07478 4/20 0.39
▸ PRSS3 P35030 4/20 0.39

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
SCHEMBL25016018 0.85 HTR4 (0.46) HTR4ACSS2HDAC3HDAC4HDAC1
SCHEMBL21822628 0.84 F10 (0.55) F10PRSS1F2
SCHEMBL28582228 0.83 HTR4 (0.45) HTR4ACSS2HDAC3HDAC4HDAC1
SCHEMBL21822848 0.80 F10 (0.51) HTR4F10ACSS2PRSS1F2
SCHEMBL25017951 0.78 ST14 (0.48) F10PRSS1F2PRSS2PRSS3
SCHEMBL25017933 0.78 ST14 (0.48) F10PRSS1F2PRSS2PRSS3
SCHEMBL25015687 0.77 ACSS2 (0.42) HTR4F10ACSS2PRSS1F2
SCHEMBL21822442 0.76 ALDH1A1 (0.52) F10PRSS1F2PLG
SCHEMBL31689665 0.76 ALDH1A1 (0.52) F10PRSS1F2PLG
SCHEMBL10144838 0.75 HDAC3 (0.67) HTR4ACSS2HDAC3HDAC4HDAC1

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 HTR4 1691/4885F10 1548/4885ACSS2 1949/4885

“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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