SCHEMBL26210539

SCHEMBL26210539

C[C@H]1CN(C2CCN(c3ncnc(N)n3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 17/20 0.72
▸ CHIA Q9BZP6 17/20 0.72
▸ KCNH2 Q12809 13/20 0.72
▸ CHI3L1 P36222 9/20 0.72
▸ CHI3L2 Q15782 3/20 0.64

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
Trifluoroacetic Acid SCHEMBL25385248 0.92 CHIT1 (0.62) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210523 0.90 CHIA (0.75) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210541 0.90 CHIA (0.71) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210534 0.90 CHIA (0.74) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210529 0.89 CHIA (0.72) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210536 0.87 CHIA (0.70) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210533 0.87 CHIA (0.70) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210331 0.85 CHIA (0.75) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210456 0.84 CHIA (1.00) CHIT1CHIAKCNH2CHI3L1CHI3L2
SCHEMBL26210169 0.84 CHIA (0.80) CHIT1CHIAKCNH2CHI3L1CHI3L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA CHIT1 4/4885CHIA 3/4885KCNH2 4824/4885

“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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