SCHEMBL23187443

SCHEMBL23187443

O=c1oc(-c2ccccc2)nc2cc3c(cc12)OCCO3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 10/20 0.68
▸ CTSG P08311 9/20 0.68
▸ KLK14 Q9P0G3 9/20 0.68
▸ KLK5 Q9Y337 9/20 0.68
▸ PRSS1 P07477 4/20 0.68
▸ ELANE P08246 1/20 0.60
▸ CTRC Q99895 3/20 0.58
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ USP2 O75604 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAPK10 P53779 1/20 0.50

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
SCHEMBL10780103 0.85 ELANE (0.77) ELANENPC1RAB9AALDH1A1LMNA
SCHEMBL10781834 0.83 ELANE (0.74) ELANENPC1RAB9AALDH1A1LMNA
SCHEMBL18352966 0.81 KLK7 (1.00) KLK7CTSGKLK14KLK5PRSS1
SCHEMBL23187444 0.79 KLK7 (0.58) KLK7CTSGKLK14KLK5PRSS1
SCHEMBL18352894 0.78 KLK7 (1.00) KLK7CTSGKLK14KLK5PRSS1
SCHEMBL4850801 0.78 ELANE (0.66) ELANENPC1RAB9AALDH1A1LMNA
SCHEMBL18352896 0.77 KLK7 (1.00) KLK7CTSGKLK14KLK5PRSS1
SCHEMBL6121634 0.77 ELANE (0.60) ELANENPC1RAB9AALDH1A1USP2
SCHEMBL18353429 0.77 KLK7 (1.00) KLK7CTSGKLK14KLK5PRSS1
SCHEMBL272702 0.76 ELANE (1.00) PRSS1ELANENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 — — US disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 — — US disclosed
US-20210101911-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS PHOENIX TISSUE REPAIR, INC. 2021-04-08 — — 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 (3 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-20210101911-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 KLK7 4/4885CTSG 290/4885KLK14 6/4885
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 KLK7 4/4885CTSG 290/4885KLK14 6/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 KLK7 4/4885CTSG 290/4885KLK14 6/4885

“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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