SCHEMBL26219265

SCHEMBL26219265

NCC1CN(C2CCN(c3ncccn3)CC2)C(Cc2ccc(Cl)cc2)CO1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 16/20 0.76
▸ CHIT1 Q13231 15/20 0.76
▸ CHIA Q9BZP6 13/20 0.76
▸ CHI3L1 P36222 9/20 0.76
▸ CHI3L2 Q15782 3/20 0.61

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
SCHEMBL25384097 1.00 KCNH2 (0.76) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26219379 0.90 CHIT1 (0.76) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL25383762 0.90 CHIT1 (0.76) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26219189 0.90 CHIT1 (0.81) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL25385628 0.90 CHIT1 (0.81) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26219128 0.90 CHIT1 (0.81) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26219319 0.90 CHIT1 (0.76) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26211038 0.90 CHIA (0.80) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL25383781 0.89 CHI3L1 (0.83) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26216315 0.89 CHI3L1 (0.83) KCNH2CHIT1CHIACHI3L1CHI3L2

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-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 KCNH2 4824/4885CHIT1 4/4885CHIA 3/4885

“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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