SCHEMBL5154706

SCHEMBL5154706

N=C(NO)c1ccc(CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.59
F10 P00742 1/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
ST14 Q9Y5Y6 2/20 0.44
ABAT P80404 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PLAU P00749 2/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
TPSAB1 Q15661 2/20 0.39
F11 P03951 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 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
Hydrochloric Acid SCHEMBL18300491 0.98 LOXL2 (0.57) LOXL2F10HDAC6HDAC3NCOR2
Hydrochloric Acid SCHEMBL6743128 0.98 LOXL2 (0.57) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL24258314 0.83 LOXL2 (0.59) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL8363408 0.81 LOXL2 (0.57) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL12348299 0.81 HSD17B10 (0.36) HDAC6HDAC3NCOR2ST14PLAU
SCHEMBL320863 0.80 PRSS1 (0.56) LOXL2F10HDAC6HDAC3NCOR2
Hydrochloric Acid SCHEMBL28579848 0.79 LOXL2 (0.55) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL18105627 0.78 HDAC6 (0.35) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL3150195 0.78 LOXL2 (0.56) LOXL2F10HDAC6HDAC3NCOR2
SCHEMBL319145 0.77 CA2 (0.46) HDAC6HDAC3NCOR2ST14PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 US disclosed
US-7265220-B2 Amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATORIES SERVIER (FR) 2007-09-04 US disclosed
EP-1215213-B1 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-17 EP disclosed
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative LES LABORATOIRES SERVIER (FR) 2005-04-21 US disclosed
EP-1476421-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2004-11-17 EP disclosed
WO-2003070690-A2 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVE LES LABORATOIRES SERVIER (FR) 2003-08-28 WO disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
EP-1215213-A2 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-06-19 EP 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-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 LOXL2 1591/4885F10 949/4885HDAC6 233/4885
US-20050085517-A1 Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative ARGLU1, PNISR, ATIC LOXL2 4354/4885F10 1350/4885HDAC6 3648/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 LOXL2 1591/4885F10 949/4885HDAC6 233/4885

“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.