SCHEMBL5465182

SCHEMBL5465182

CCC1(CNC(=O)C(F)(F)F)CNC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
AKT1 P31749 1/20 0.31

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
SCHEMBL9668457 0.79 ALDH1A1 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5465278 0.77 ALDH1A1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL14443924 0.77 EPHX1 (0.38) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL23214639 0.71 ALDH1A1 (0.37) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL13548553 0.69 SMYD3 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5571462 0.68 ALDH1A1 (0.34) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1587180 0.67 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL17586272 0.67 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22234127 0.67 ALDH1A1 (0.48) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL15286298 0.67 SMYD3 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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 6 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
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL EPHX1 2015/4885ALDH1A1 637/4885POLB 569/4885

“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.