SCHEMBL17960604

SCHEMBL17960604

CCOC(=O)c1cnc2ccc(Br)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MAPK1 P28482 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ ATM Q13315 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ AURKB Q96GD4 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ THRB P10828 1/20 0.42

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
SCHEMBL2000194 0.94 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL28286266 0.86 RAB9A (0.51) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL30494127 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL724711 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL2001591 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL15447229 0.79 HTT (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL17974313 0.79 NPC1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21865083 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL12571875 0.78 TSHR (0.52) ALDH1A1SMN1; SMN2MAPK1RAB9AGAA
SCHEMBL4538765 0.78 MAOB (0.61) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968233-B2 Monothiol mucolytic agents PARION SCIENCES, INC. (US) 2021-04-06 — — US disclosed
CN-112321472-A Novel monothiol mucolytic agents 帕里昂科学公司 2021-02-05 — — CN disclosed
CN-107614480-B Novel monothiol mucolytic agents 帕里昂科学公司 2020-09-15 — — CN disclosed
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. 2019-01-31 — — US disclosed
US-10106551-B2 Monothiol mucolytic agents PARION SCIENCES, INC. (US) 2018-10-23 — — US disclosed
CN-107614480-A Novel monothiol mucolytic agents 帕里昂科学公司 2018-01-19 — — CN disclosed
EP-3250548-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS Parion Sciences, Inc. (US) 2017-12-06 — — EP disclosed
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 — — US disclosed
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 — — US disclosed
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 — — US disclosed
WO-2016123335-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 — — WO disclosed
WO-2016123335-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-08-04 — — 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-10106551-B2 Monothiol mucolytic agents MUC1, HRH2, MAN2A1 ALDH1A1 301/4885SMN1; SMN2 3077/4885MAPK1 3591/4885
US-10968233-B2 Monothiol mucolytic agents MUC1, HRH2, MAN2A1 ALDH1A1 301/4885SMN1; SMN2 3077/4885MAPK1 3591/4885
US-20190031679-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 ALDH1A1 266/4885SMN1; SMN2 3630/4885MAPK1 3080/4885
US-20160222023-A1 NOVEL MONOTHIOL MUCOLYTIC AGENTS MUC1, MAN2A1, HRH2 ALDH1A1 266/4885SMN1; SMN2 3630/4885MAPK1 3080/4885

“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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