SCHEMBL24339367

SCHEMBL24339367

Cc1c(C(N)=O)oc2nc[nH]c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 4/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TRPA1 O75762 3/20 0.35
▸ HTT P42858 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ GDA Q9Y2T3 1/20 0.34
▸ ACVR1 Q04771 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL25606910 0.86 BCAT2 (0.42) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL24338957 0.80 KDM4E (0.54) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL24338103 0.79 POLB (0.43) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL13958247 0.71 BCAT2 (0.46) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL354546 0.69 PARP1 (0.41) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL19119395 0.67 BCAT2 (0.76) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL29812517 0.65 GDA (0.41) BCAT2PDPK1HPGDKDM4ELMNA
SCHEMBL3866807 0.64 PARP1 (0.42) BCAT2PDPK1LMNAGAAALDH1A1
SCHEMBL9585465 0.64 KDM4E (0.33) KDM4EPOLBTRPA1ACVR1
SCHEMBL24338729 0.63 TRPA1 (0.49) LMNATRPA1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228756-B1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-06-12 — — EP disclosed
EP-4228756-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-23 — — EP disclosed
CN-116249535-A Tetrazole derivatives as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2023-06-09 — — CN disclosed
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 — — US disclosed
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 — — US disclosed
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 — — US disclosed
WO-2022079092-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 — — WO disclosed
WO-2022079092-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 — — WO disclosed
US-20220112202-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-14 — — 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-20220112202-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 BCAT2 3205/4885PDPK1 999/4885HPGD 3408/4885
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 BCAT2 3132/4885PDPK1 1015/4885HPGD 3401/4885

“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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