SCHEMBL21111516

SCHEMBL21111516

CNCCCCCCNC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
EPHX1 P07099 7/20 0.46
ADRA1A P35348 1/20 0.45
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
PRMT1 Q99873 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PAOX Q6QHF9 2/20 0.41
CASP2 P42575 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL25332483 1.00 KDM4E (0.50) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL691823 0.97 KDM4E (0.46) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL4965925 0.92
SCHEMBL18874871 0.89 CA3 (0.45) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL10656502 0.87 PAOX (0.44) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL2720594 0.87 PAOX (0.44) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL15871737 0.87 KDM4E (0.55) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL20836564 0.87 KDM4E (0.55) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL5569558 0.87 KDM4E (0.55) KDM4EMAPK1HIF1AEPHX1ADRA1A
SCHEMBL453216 0.87 KDM4E (0.55) KDM4EMAPK1HIF1AEPHX1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097229-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED DERMATOLOGICAL CONDITIONS BACAINN BIOTHERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 US disclosed
WO-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed
EP-4172149-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE Bacainn Biotherapeutics, Ltd. (KY) 2023-05-03 EP disclosed
US-20220227808-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC 2022-07-21 US disclosed
US-11254705-B2 Cyclic peptide analogs and conjugates thereof SIRENAS LLC (US) 2022-02-22 US disclosed
WO-2022005881-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 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 (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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 KDM4E 4511/4885MAPK1 2257/4885HIF1A 579/4885
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR KDM4E 4553/4885MAPK1 3945/4885HIF1A 1662/4885
US-11254705-B2 Cyclic peptide analogs and conjugates thereof VIP, NGLY1, GRPR KDM4E 4553/4885MAPK1 3945/4885HIF1A 1662/4885
US-20220227808-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR KDM4E 4553/4885MAPK1 3945/4885HIF1A 1662/4885

“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.