SCHEMBL6354430

SCHEMBL6354430

C[C@H](CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PTPN1 P18031 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP19A1 P11511 1/20 0.44
TDO2 P48775 1/20 0.43

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
SCHEMBL6354426 1.00 CYP2C19 (0.61) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL23901561 0.82 CYP2C19 (0.64) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL6234926 0.76 CYP2C19 (0.67) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL5317134 0.76 CYP2C19 (0.60) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL8804832 0.75 CYP2C19 (0.62) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL6355710 0.74 CYP2C19 (0.56) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL6355713 0.74 CYP2C19 (0.56) CYP2C19CYP2D6CYP2C9RECQLKMT2A
Hydrochloric Acid SCHEMBL5967107 0.74 CYP2C19 (0.61) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL2565526 0.74 KMT2A (0.61) CYP2C19CYP2D6CYP2C9RECQLKMT2A
SCHEMBL30781045 0.74 TSHR (0.61) CYP2C19CYP2D6CYP2C9KMT2AMAPT

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-20050119481-A1 Novel amidine derivatives and the use of the same in pharmaceuticals SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
EP-1453794-A1 NOVEL AMIDINE DERIVATIVES AND THE USE OF THE SAME IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-08 EP disclosed
WO-2003053914-A1 NOVEL AMIDINE DERIVATIVES AND THE USE OF THE SAME IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 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-20050119481-A1 Novel amidine derivatives and the use of the same in pharmaceuticals NGLY1, OAT, SLC10A1 CYP2C19 594/4885CYP2D6 466/4885CYP2C9 250/4885

“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.