SCHEMBL18577421

SCHEMBL18577421

COC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
YAP1 P46937 1/20 0.46
CMA1 P23946 5/20 0.46
ACE P12821 1/20 0.46
REN P00797 1/20 0.45
CTRB1 P17538 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL18577419 1.00 ALDH1A1 (0.55) ALDH1A1NPC1KMT2AMEN1MC4R
SCHEMBL18609373 1.00 ALDH1A1 (0.55) ALDH1A1NPC1KMT2AMEN1MC4R
SCHEMBL18577417 1.00 ALDH1A1 (0.55) ALDH1A1NPC1KMT2AMEN1MC4R
SCHEMBL20781286 0.91 KMT2A (0.51) ALDH1A1NPC1KMT2AMEN1MC4R
SCHEMBL28067687 0.90 ACE (0.56) KMT2AMEN1YAP1CMA1ACE
SCHEMBL28067688 0.90 ACE (0.56) KMT2AMEN1YAP1CMA1ACE
SCHEMBL6743406 0.83 ITGB1 (0.50) NPC1KMT2AMEN1
SCHEMBL4826316 0.83 ALDH1A1 (0.54) ALDH1A1NPC1KMT2AMEN1LMNA
SCHEMBL14064681 0.83 ALDH1A1 (0.54) ALDH1A1NPC1KMT2AMEN1LMNA
SCHEMBL750225 0.83 KMT2A (0.53) ALDH1A1NPC1KMT2AMEN1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC ALDH1A1 1830/4885NPC1 2044/4885KMT2A 1534/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC ALDH1A1 1830/4885NPC1 2044/4885KMT2A 1534/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC ALDH1A1 1830/4885NPC1 2044/4885KMT2A 1534/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC ALDH1A1 1830/4885NPC1 2044/4885KMT2A 1534/4885

“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.