SCHEMBL15745603

SCHEMBL15745603

CC(C)(C)C(=O)c1csc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ GFER P55789 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ LTA4H P09960 1/20 0.35

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
SCHEMBL13610825 0.78 TLR7 (0.45) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL965863 0.78 — —
SCHEMBL27662308 0.77 ALDH1A1 (0.55) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL23896444 0.77 BTK (0.33) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL19240720 0.77 L3MBTL1 (0.33) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL1368990 0.77 ALDH1A1 (0.59) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL16229506 0.76 ALDH1A1 (0.44) ALDH1A1NPC1MAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL4683596 0.76 MAPT (0.59) ALDH1A1NPC1MAPTRAB9AMEN1
Bromide SCHEMBL856330 0.76 MAPT (0.54) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL94064 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351264-B2 PAR2 mimetic peptides and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-07 — — US disclosed
US-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-04-25 — — US disclosed
US-9132133-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-09-15 — — US disclosed
US-20150174133-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2015-06-25 — — US disclosed
US-8987297-B2 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2015-03-24 — — US disclosed
US-20150005285-A1 Nitrogen containing compounds WOCKHARDT LIMITED (IN) 2015-01-01 — — US disclosed
US-8853197-B1 Nitrogen containing compounds WOCKHARDT LTD. (IN) 2014-10-07 — — US disclosed
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS WOCKHARDT LIMITED (IN) 2014-09-18 — — US disclosed
US-8822450-B2 1,6-diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LTD. (IN) 2014-09-02 — — US disclosed
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections WOCKHARDT LIMITED (IN) 2014-05-29 — — 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 (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-20150174133-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 ALDH1A1 1793/4885NPC1 1335/4885MAPT 4078/4885
US-11351264-B2 PAR2 mimetic peptides and uses thereof F2RL1, F2R, F2RL3 ALDH1A1 4778/4885NPC1 2493/4885MAPT 2852/4885
US-20150005285-A1 Nitrogen containing compounds NOS2, NOS1, NCF1 ALDH1A1 1793/4885NPC1 1335/4885MAPT 4078/4885
US-20140148431-A1 1,6- Diazabicyclo [3,2,1] octan-7-one derivatives and their use in the treatment of bacterial infections ODC1, AOC1, CASP7 ALDH1A1 233/4885NPC1 560/4885MAPT 4760/4885
US-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF F2RL1, F2R, F2RL3 ALDH1A1 4778/4885NPC1 2493/4885MAPT 2852/4885
US-20140275018-A1 NITROGEN CONTAINING COMPOUNDS NOS2, NOS1, NCF1 ALDH1A1 1793/4885NPC1 1335/4885MAPT 4078/4885

“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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