SCHEMBL22901846

SCHEMBL22901846

O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCOC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGAV P06756 3/20 0.47
ITGA5 P08648 2/20 0.47
HDAC1 Q13547 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
CXCR3 P49682 1/20 0.38
CHIT1 Q13231 2/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHIA Q9BZP6 1/20 0.37

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
SCHEMBL25384693 0.80 HDAC4 (0.57) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL24614230 0.76 HDAC4 (0.64) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL3340358 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL1574075 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL337628 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL8246610 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL337369 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL1574002 0.76 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL25385039 0.74 KDM4E (0.40) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL31473165 0.72 ITGB3 (0.35) ITGB3ITGAVITGA5HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 US disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 US disclosed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 EP disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors MOLECURE S.A. (PL) 2023-05-02 US disclosed
US-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS GALAPAGOS NV (BE) 2021-01-21 US disclosed
WO-2021009209-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS Oncoarendi Therapeutics S.A. (PL) 2021-01-21 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 (4 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ITGB3 3252/4885ITGAV 3300/4885ITGA5 3368/4885
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ITGB3 3221/4885ITGAV 3624/4885ITGA5 2868/4885
US-20210015822-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS CHIT1, CHIA, CHI3L1 ITGB3 1089/4885ITGAV 1993/4885ITGA5 1197/4885
US-11638707-B2 Substituted amino triazoles useful as chitinase inhibitors CHIT1, CHIA, CHI3L1 ITGB3 1089/4885ITGAV 1993/4885ITGA5 1197/4885

“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.