SCHEMBL25017559

SCHEMBL25017559

NCCCCNC(=O)c1cc2ccc(CN)cc2n1Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ MC4R P32245 2/20 0.43
▸ MC5R P33032 2/20 0.43
▸ MC3R P41968 2/20 0.43
▸ MC1R Q01726 2/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ CNR2 P34972 2/20 0.39
▸ HDAC3 O15379 2/20 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
SCHEMBL25016124 0.87 F10 (0.55) F10ITGB3ITGA2B
SCHEMBL25017567 0.84 F10 (0.56) F10ITGB3ITGA2B
SCHEMBL21822156 0.82 CCR2 (0.52) —
SCHEMBL31689671 0.82 CCR2 (0.52) —
SCHEMBL25017145 0.81 F10 (0.46) F10CNR2
SCHEMBL25017561 0.80 F10 (0.58) F10ITGB3ITGA2B
SCHEMBL25016287 0.80 F10 (0.45) F10CNR2
SCHEMBL25016195 0.80 F10 (0.45) F10CNR2
SCHEMBL25017427 0.80 HTR4 (0.43) F10
SCHEMBL25016025 0.80 F10 (0.45) F10CNR2

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 1 patent. 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

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 F10 1548/4885CA12 2535/4885CA1 3224/4885

“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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