SCHEMBL17838862

SCHEMBL17838862

COC(=O)C(CN)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
GABBR2 O75899 6/20 0.47
GABBR1 Q9UBS5 6/20 0.47
LMNA P02545 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
THRB P10828 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK2 O75116 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
Hydrochloric Acid SCHEMBL191106 0.98 L3MBTL1 (0.58) L3MBTL1ESR1ESR2GABBR2GABBR1
SCHEMBL8914136 0.84 ESR1 (0.68) L3MBTL1ESR1ESR2NFKB1TSHR
SCHEMBL192706 0.84 L3MBTL1 (0.61) L3MBTL1ESR1ESR2SLC6A2SLC6A4
SCHEMBL7629387 0.84 L3MBTL1 (0.61) L3MBTL1ESR1ESR2LMNACYP2C9
SCHEMBL8912131 0.84 ESR1 (0.68) L3MBTL1ESR1ESR2NFKB1TSHR
SCHEMBL27676916 0.84 L3MBTL1 (0.61) L3MBTL1ESR1ESR2LMNACYP2C9
SCHEMBL21656311 0.83 ESR1 (0.49) L3MBTL1ESR1ESR2GABBR2GABBR1
SCHEMBL18382201 0.82 KMT2A (0.58) ESR1ESR2GABBR2GABBR1LMNA
SCHEMBL3402990 0.82 KMT2A (0.58) ESR1ESR2GABBR2GABBR1LMNA
SCHEMBL18382129 0.82 KMT2A (0.58) ESR1ESR2GABBR2GABBR1LMNA

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 L3MBTL1 1880/4885ESR1 4869/4885ESR2 4687/4885
US-20160368894-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS ACIDIC MAMMALIAN CHITINASE INHIBITORS CHIA, CHIT1, CMA1 L3MBTL1 1880/4885ESR1 4869/4885ESR2 4687/4885

“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.