SCHEMBL23970849

SCHEMBL23970849

COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.75
HPGD P15428 2/20 0.56
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
VCAM1 P19320 1/20 0.54
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
PTGER4 P35408 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL7179457 0.95 HCAR3 (0.68) HCAR3HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL7179451 0.95 HCAR3 (0.68) HCAR3HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL22725418 0.95 HCAR3 (0.68) HCAR3HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL5838082 0.95 HCAR3 (0.76) HCAR3HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL5065370 0.94 HCAR3 (0.74) HCAR3HPGDKMT2AMEN1VCAM1
SCHEMBL13153969 0.89 HCAR3 (0.60) HCAR3HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL20337717 0.89 HCAR3 (0.59) HCAR3HPGDSMN1; SMN2VCAM1ALDH1A1
SCHEMBL15321361 0.87 HCAR3 (0.68) HCAR3KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5906517 0.86 HCAR3 (1.00) HCAR3KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL22725443 0.86 HCAR3 (0.63) HCAR3HPGDKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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-20230090053-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 HCAR3 1788/4885HPGD 729/4885KMT2A 1652/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 HCAR3 1788/4885HPGD 729/4885KMT2A 1652/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 HCAR3 1788/4885HPGD 729/4885KMT2A 1652/4885
US-11878965-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 HCAR3 1788/4885HPGD 729/4885KMT2A 1652/4885

“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.