SCHEMBL23214427

SCHEMBL23214427

Cc1cccnc1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.52
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2A6 P11509 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FDPS P14324 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2924950 0.80 PLAU (0.52) PLAUNOS3NOS1NOS2NPC1
SCHEMBL29435535 0.80 PLAU (0.52) PLAUNOS3NOS1NOS2NPC1
SCHEMBL1410939 0.78 CYP3A4 (0.47) PLAUCYP3A4TRPA1NPC1RAB9A
SCHEMBL30520123 0.78 CYP3A4 (0.47) PLAUCYP3A4TRPA1NPC1RAB9A
SCHEMBL6404182 0.77
SCHEMBL1851255 0.76 PLAU (0.61) PLAUNOS3NOS1NOS2NPC1
SCHEMBL3658777 0.76 TRIM24 (0.34) PLAUCYP3A4KDM4EGABRA1GABRB2
SCHEMBL28051639 0.76 TDP1 (0.38) CYP3A4GABRA1GABRB2HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11705118 0.75 PLAU (0.55) PLAUNOS3NOS1NOS2NPC1
SCHEMBL292776 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411374-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL DR. REDDY'S LABORATORIES LIMITED (IN) 2022-12-29 US disclosed
EP-4041710-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL Dr. Reddy's Laboratories Limited (IN) 2022-08-17 EP disclosed
WO-2021070124-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL DR. REDDY’S LABORATORIES LIMITED (IN) 2021-04-15 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 (1 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-20220411374-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL SI, UMPS, OTC PLAU 722/4885NOS3 1633/4885NOS1 1199/4885

“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.