SCHEMBL7056110

SCHEMBL7056110

N#Cc1ccc(-c2ccc(Br)cc2)c(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM1A O60341 3/20 0.37
MAOB P27338 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MAOA P21397 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
AHR P35869 1/20 0.36
FNTB P49356 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
STS P08842 1/20 0.35
HRH1 P35367 1/20 0.35
PDK2 Q15119 2/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4052387 0.85 CYP19A1 (0.47) SCN9ACYP11B2CYP19A1CYP11B1HRH4
Hydrochloric Acid SCHEMBL4599477 0.84 CYP19A1 (0.46) SCN9ACYP11B2CYP19A1CYP11B1HRH4
SCHEMBL7056102 0.78 PDK2 (0.43) SCN9ACYP11B2CYP19A1CYP11B1HRH4
SCHEMBL1038946 0.78 HRH4 (0.41) KIF11TRPA1SCN5ASCN9AHRH4
SCHEMBL20930502 0.76 PDK2 (0.36) KIF11TRPA1SCN5ASCN9AKDM1A
SCHEMBL4599915 0.75 FFAR4 (0.50) KIF11TRPA1SCN5ASCN9ACYP11B2
SCHEMBL22242509 0.75 PDK2 (0.35) KIF11TRPA1SCN5ASCN9AKDM1A
SCHEMBL17630052 0.74 PDE3B (0.46) KIF11KDM1AMAOBCYP11B2CYP11B1
SCHEMBL8119291 0.74 EPAS1 (0.43) KIF11TRPA1SCN5ASCN9AHRH4
SCHEMBL22816019 0.74 IDH1 (0.39) MAOBHRH4MAOAPTGDR2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E KIF11 2902/4885TRPA1 212/4885SCN5A 192/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C KIF11 3969/4885TRPA1 294/4885SCN5A 224/4885

“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.