SCHEMBL25937663

SCHEMBL25937663

O=[N+]([O-])c1cccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3F)CC2)c1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.48
CASP1 P29466 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
TACR1 P25103 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL249152 0.94 MEN1 (0.52) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL23369522 0.93 ACHE (0.52) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL28257908 0.93 ALDH1A1 (0.49) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL30543437 0.90 ACHE (0.49) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL249415 0.90 CYP2A13 (0.54) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL21240870 0.89 ALDH1A1 (0.54) ACHEALDH1A1KDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL17439173 0.88 ALDH1A1 (0.53) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL16171455 0.88 ALDH1A1 (0.53) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL16119494 0.85 ALDH1A1 (0.54) ACHEALDH1A1KDM4EPOLBMEN1
SCHEMBL28257896 0.85 ALDH1A1 (0.47) ACHEALDH1A1KDM4EPOLBMEN1

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-20230373955-A1 SYNTHESIS OF OMECAMTIV MECARBIL AMGEN INC. 2023-11-23 US disclosed
US-11753394-B2 Synthesis of omecamtiv mecarbil AMGEN INC. (US) 2023-09-12 US disclosed
US-11702380-B2 Synthesis of omecamtiv mecarbil AMGEN INC. (US) 2023-07-18 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-11702380-B2 Synthesis of omecamtiv mecarbil SI, MTHFD2, DPYD ACHE 3865/4885ALDH1A1 1017/4885KDM4E 464/4885
US-20230373955-A1 SYNTHESIS OF OMECAMTIV MECARBIL DPYD, SI, MTHFD2 ACHE 3655/4885ALDH1A1 570/4885KDM4E 566/4885
US-11753394-B2 Synthesis of omecamtiv mecarbil SI, DPYD, MTHFD2 ACHE 3439/4885ALDH1A1 703/4885KDM4E 544/4885

“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.