SCHEMBL18577231

SCHEMBL18577231

O=C1NCCN[C@H]1Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.43
MLNR O43193 6/20 0.42
HDAC8 Q9BY41 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GHSR Q92847 1/20 0.40
TSHR P16473 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL18577233 1.00 SMN1; SMN2 (0.44) SMN1; SMN2USP2GLAMLNRHDAC8
SCHEMBL25344011 0.85 HDAC8 (0.41) MLNRHDAC8GHSRTSHRPPARG
SCHEMBL25344017 0.85 HDAC8 (0.41) MLNRHDAC8GHSRTSHRPPARG
SCHEMBL13876425 0.83 MLNR (0.53) SMN1; SMN2USP2GLAMLNRTSHR
SCHEMBL9437531 0.83 GLA (0.58) GLAHDAC8GHSR
SCHEMBL9437533 0.83 GLA (0.58) GLAHDAC8GHSR
SCHEMBL6936657 0.83 GLA (0.58) GLAHDAC8GHSR
SCHEMBL8534086 0.81 CYP2C19 (0.48) SMN1; SMN2GLAMLNRCYP3A4CYP2C19
SCHEMBL13399537 0.76 MDM2 (0.47) PPARG
SCHEMBL13399535 0.76 MDM2 (0.47) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 US 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 WO disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 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 (6 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC SMN1; SMN2 4880/4885USP2 2923/4885GLA 796/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA SMN1; SMN2 4587/4885USP2 2645/4885GLA 186/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA SMN1; SMN2 4574/4885USP2 2730/4885GLA 147/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC SMN1; SMN2 4880/4885USP2 2923/4885GLA 796/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC SMN1; SMN2 4880/4885USP2 2923/4885GLA 796/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC SMN1; SMN2 4880/4885USP2 2923/4885GLA 796/4885

“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.