SCHEMBL23970644

SCHEMBL23970644

CNc1c(F)cc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR3 P49019 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
TPMT P51580 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL30159160 1.00 VCAM1 (0.48) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL11363206 0.89 VCAM1 (0.54) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL23970759 0.85 HCAR3 (0.46) VCAM1MAPTKDM4EHTTHCAR3
SCHEMBL21681844 0.84 VCAM1 (0.49) VCAM1MAPTKDM4EHPGDALDH1A1
SCHEMBL18306415 0.84 VCAM1 (0.49) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL27212775 0.83 VCAM1 (0.51) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL30158975 0.83 VCAM1 (0.51) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL1966920 0.82 KDM4E (0.50) VCAM1MAPTKDM4EHTTSMN1; SMN2
SCHEMBL23971244 0.82 VCAM1 (0.51) VCAM1MAPTKDM4EHTTHPGD
SCHEMBL15551607 0.82 VCAM1 (0.48) VCAM1MAPTKDM4EHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. 2025-05-01 US disclosed
EP-4433477-A1 PAD4 INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2024-09-25 EP disclosed
CN-118679162-A PAD4 inhibitors and uses thereof 锐格药业公司 2024-09-20 CN disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-11878965-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-01-23 US disclosed
EP-4267562-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-11-01 EP disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
US-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-03-23 US disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2022140390-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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 (5 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-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF PADI4, PADI6, PADI2 VCAM1 1606/4885MAPT 3307/4885KDM4E 172/4885
US-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 VCAM1 563/4885MAPT 3578/4885KDM4E 936/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 VCAM1 563/4885MAPT 3578/4885KDM4E 936/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 VCAM1 563/4885MAPT 3578/4885KDM4E 936/4885
US-11878965-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 VCAM1 563/4885MAPT 3578/4885KDM4E 936/4885

“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.