SCHEMBL24139146

SCHEMBL24139146

CC1Oc2nc[nH]c(=O)c2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.38
▸ ABL1 P00519 2/20 0.36
▸ RIN1 Q13671 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TMIGD3 P0DMS9 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PDPK1 O15530 3/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ RPS6KA3 P51812 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL24138801 0.67 ALDH1A1 (0.35) PARP1ABL1RIN1KMT2AALDH1A1
SCHEMBL24138407 0.67 ALDH1A1 (0.35) PARP1ABL1RIN1KMT2AALDH1A1
SCHEMBL24086608 0.64 PARP1 (0.56) PARP1SMN1; SMN2CYP1A2
SCHEMBL18128068 0.64 PARP1 (0.44) PARP1
SCHEMBL21261536 0.62 PARP1 (0.41) PARP1
SCHEMBL21353636 0.62 AKR1B1 (0.43) PARP1ABL1PIM1RPS6KA3
SCHEMBL20595580 0.62 AKR1B1 (0.43) PARP1ABL1PIM1RPS6KA3
SCHEMBL22770042 0.62 AKR1B1 (0.43) PARP1
SCHEMBL20595579 0.62 AKR1B1 (0.43) PARP1ABL1PIM1RPS6KA3
SCHEMBL22770041 0.62 AKR1B1 (0.43) PARP1

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 5 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

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 PARP1 4321/4885ABL1 2104/4885RIN1 2741/4885
US-20210403482-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 PARP1 4321/4885ABL1 2104/4885RIN1 2741/4885
US-20240352033-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 PARP1 4321/4885ABL1 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