SCHEMBL688552

SCHEMBL688552

O=C(O)Cc1n[nH]c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
TSHR P16473 3/20 0.47
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.35
BTK Q06187 1/20 0.33
DAO P14920 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRR2 P28476 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9181061 0.80 ALDH1A1 (0.46) TSHRGAALMNAALDH1A1CSNK2A2
SCHEMBL25270483 0.69
SCHEMBL24033598 0.66 GLA (0.46) GLATSHRLMNAALDH1A1
SCHEMBL11308121 0.65 LMNA (0.33) TSHRLMNAALDH1A1CSNK2A2CSNK2B
SCHEMBL15332609 0.65 ALDH1A1 (0.50) TSHRLMNAALDH1A1CSNK2A2CSNK2B
SCHEMBL3433464 0.65 LMNA (0.40) TSHRLMNAALDH1A1DAOCSNK2A2
SCHEMBL12446057 0.64 CYP1A2 (0.40) TSHRALDH1A1CYP3A4GABRA1NFKB1
SCHEMBL12050709 0.64 GABRR1 (0.38) TSHRGAALMNAALDH1A1CYP3A4
SCHEMBL595749 0.64
SCHEMBL12050708 0.64 LMNA (0.34) TSHRLMNAALDH1A1CYP3A4GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897011-B IDO inhibitor and application thereof 上海华汇拓医药科技有限公司 2023-10-31 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2772482-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 US disclosed
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP disclosed
US-5432181-A Substituted heteroaryl analogs of 4,6-di-tertiary-butyl-5-hydroxy-1,3-pyrimidines useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-07-11 US disclosed
US-5376670-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-12-27 US disclosed
US-5356898-A Antiinflammatory agents, antiallergens, antiulcer agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
US-5256680-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-26 US disclosed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
EP-0371438-A2 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-06-06 EP 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-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT GLA 3436/4885TSHR 2787/4885GAA 4337/4885
US-20140275006-A1 AZOLE DERIVATIVE AVPR1B, AVPR1A, AVPR2 GLA 2180/4885TSHR 159/4885GAA 1526/4885

“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.