SCHEMBL24138801

SCHEMBL24138801

O=C1Nc2c(nc[nH]c2=O)OC1(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ RIN1 Q13671 2/20 0.34
▸ PARP1 P09874 6/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ XDH P47989 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BLM P54132 1/20 0.30

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
SCHEMBL31481218 0.60 — —
SCHEMBL9723069 0.55 HPGD (0.44) ALDH1A1PARP1PDPK1
SCHEMBL1720839 0.54 ALDH1A1 (0.40) ALDH1A1PARP1SMN1; SMN2PDPK1CA12
SCHEMBL22139858 0.54 HPGD (0.44) ALDH1A1PARP1SMN1; SMN2PDPK1CA12
SCHEMBL8343162 0.54 ATIC (0.33) —
Hypoxanthine SCHEMBL25381 0.54 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2PDPK1LMNATSHR
Hypoxanthine SCHEMBL30096461 0.54 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2PDPK1LMNATSHR
Hypoxanthine SCHEMBL7037918 0.54 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2PDPK1LMNATSHR
SCHEMBL8507626 0.53 HPGD (0.43) ALDH1A1ABL1PARP1PDPK1
SCHEMBL4781198 0.53 ALDH1A1 (0.39) ALDH1A1ABL1PARP1SMN1; SMN2PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171571-B1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-10-30 — — EP disclosed
US-20240352033-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-10-24 — — US disclosed
US-11891403-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-02-06 — — US disclosed
CN-116157130-A Tetrazole derivatives as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2023-05-23 — — CN disclosed
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2021-12-30 — — US disclosed
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2021-12-30 — — 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-11891403-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 ALDH1A1 1326/4885ABL1 2104/4885RIN1 2741/4885
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 ALDH1A1 1326/4885ABL1 2104/4885RIN1 2741/4885
US-20240352033-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 ALDH1A1 1326/4885ABL1 2104/4885RIN1 2741/4885

“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.

Send feedback