SCHEMBL701202

SCHEMBL701202

CC(C)(C)c1ccc2c(c1)OCCNC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.50
GSK3B P49841 1/20 0.44
TRPV1 Q8NER1 2/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15586859 0.88 FABP6 (0.48) FABP6GSK3BTRPV1ALDH1A1MAPT
SCHEMBL16437217 0.88 FABP6 (0.61) FABP6GSK3BTRPV1CYP19A1ALDH1A1
SCHEMBL16014463 0.87 FABP6 (0.47) FABP6GSK3BTRPV1ALDH1A1MAPT
SCHEMBL3594465 0.85 PARP10 (0.54) FABP6GSK3BPARP1PARP10PARP11
SCHEMBL16024278 0.85 FABP6 (0.45) FABP6GSK3BTRPV1ALDH1A1MAPT
SCHEMBL25926813 0.84 CYP19A1 (0.42) CYP19A1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL10274616 0.80 ALDH1A1 (0.56) FABP6GSK3BCYP19A1ALDH1A1NPC1
SCHEMBL20306282 0.78 FABP6 (0.47) FABP6GSK3BALDH1A1MAPTGAA
SCHEMBL760553 0.78 TRPV1 (0.55) FABP6TRPV1ALDH1A1RAB9AMAPT
SCHEMBL12078170 0.76 PARP10 (0.54) FABP6GSK3BCYP19A1ALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
EP-2421854-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
EP-2421854-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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 (3 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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 FABP6 1025/4885GSK3B 1130/4885TRPV1 213/4885
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN FABP6 4550/4885GSK3B 198/4885TRPV1 3074/4885
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN FABP6 4481/4885GSK3B 363/4885TRPV1 2193/4885

“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.