SCHEMBL14432146

SCHEMBL14432146

N#CCC(NC(=O)C(F)(F)F)C1CNC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14432011 0.80 EPHX1 (0.35) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5463207 0.78 EPHX1 (0.34) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5459762 0.71 ACHE (0.39) ALDH1A1KMT2A
SCHEMBL5459590 0.67 CTSK (0.45)
Trifluoroacetic Acid SCHEMBL34474854 0.65 CPN1 (0.33)
SCHEMBL6620023 0.64 CTSS (0.31)
SCHEMBL6620021 0.64 CTSS (0.31)
SCHEMBL6369980 0.63 PARP1 (0.40)
SCHEMBL3884426 0.61 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9665820 0.60 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 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 (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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL ALDH1A1 637/4885POLB 569/4885SMN1; SMN2 2248/4885

“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.