SCHEMBL17838900

SCHEMBL17838900

COC(=O)c1ccc(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 1/20 0.46
CCR3 P51677 7/20 0.46
CHIT1 Q13231 4/20 0.46
CHIA Q9BZP6 4/20 0.46
KCNH2 Q12809 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
C5AR1 P21730 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL17853481 0.88 NR1D1 (0.53) MEN1KMT2ACHIT1CHIAKCNH2
SCHEMBL17838844 0.84 C5AR1 (0.49) MEN1KMT2ARAB9ACCR3CHIT1
SCHEMBL17838870 0.84 MEN1 (0.46) MEN1KMT2ARAB9ACCR3CHIT1
SCHEMBL16757075 0.82 MEN1 (0.60) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL17838815 0.79 MEN1 (0.53) MEN1KMT2ARAB9ACCR3CHIT1
Hydrochloric Acid SCHEMBL28430234 0.77 CHIT1 (0.49) MEN1KMT2ACCR3CHIT1CHIA
SCHEMBL17838840 0.77 KCNH2 (0.51) MEN1KMT2ACCR3CHIT1CHIA
SCHEMBL17838881 0.75 CCR3 (0.50) MEN1KMT2ARAB9ACCR3CHIT1
SCHEMBL22217662 0.74 MAPT (0.49) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL17838855 0.74 STS (0.48) MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428720-B Substituted aminotriazoles as inhibitors of acid mammalian chitinase 昂科艾伦迪治疗法股份公司 2020-06-30 CN disclosed
EP-3233832-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-11-20 EP disclosed
EP-3233832-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-10-25 EP disclosed
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-12-22 US disclosed
US-9440953-B2 Substituted amino triazoles useful as acidic mammalian chitinase inhibitors OncoArendi Therapeutics Sp. z o.o. (PL) 2016-09-13 US disclosed
WO-2016099311-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 WO disclosed
US-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-06-23 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 (2 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-20160176843-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 MEN1 3425/4885KMT2A 4066/4885RAB9A 2846/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 MEN1 3425/4885KMT2A 4066/4885RAB9A 2846/4885

“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.