SCHEMBL2118285

SCHEMBL2118285

O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
CNR2 P34972 1/20 0.45
TRPV1 Q8NER1 3/20 0.44
POLB P06746 2/20 0.44
SLC6A9 P48067 1/20 0.44
HPGD P15428 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
CHRM4 P08173 1/20 0.42

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
SCHEMBL2617845 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617765 1.00 KMT2A (0.51) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2120688 0.92 MEN1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617888 0.92 MEN1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617814 0.92 MEN1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617759 0.88 KMT2A (0.49) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2119316 0.88 KMT2A (0.49) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617831 0.88 KMT2A (0.49) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2617763 0.87 SERPINE1 (0.49) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL2118277 0.87 SERPINE1 (0.49) KMT2AMEN1SMN1; SMN2MAPTLMNA

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US 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 KMT2A 2602/4885ALDH1A1 331/4885MEN1 1277/4885

“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.