SCHEMBL2118277

SCHEMBL2118277

O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
IDE P14735 1/20 0.46
HPGD P15428 1/20 0.45
MCHR1 Q99705 1/20 0.44
ENPP2 Q13822 2/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2617763 1.00 SERPINE1 (0.49) SERPINE1MEN1KMT2ASMN1; SMN2IDE
SCHEMBL2617838 1.00 SERPINE1 (0.49) SERPINE1MEN1KMT2ASMN1; SMN2IDE
SCHEMBL2119383 0.97 KDM4E (0.48) SERPINE1MEN1KMT2ASMN1; SMN2IDE
SCHEMBL2617770 0.97 KDM4E (0.48) SERPINE1MEN1KMT2ASMN1; SMN2IDE
SCHEMBL2119695 0.92 SERPINE1 (0.47) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617809 0.92 SERPINE1 (0.47) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617873 0.92 SERPINE1 (0.47) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617764 0.92 ENPP2 (0.42) SERPINE1SMN1; SMN2MCHR1ENPP2TRPV1
SCHEMBL2119264 0.92 ENPP2 (0.42) SERPINE1SMN1; SMN2MCHR1ENPP2TRPV1
SCHEMBL2617840 0.92 ENPP2 (0.42) SERPINE1SMN1; SMN2MCHR1ENPP2TRPV1

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 SERPINE1 389/4885MEN1 1277/4885KMT2A 2602/4885

“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.