SCHEMBL2120688

SCHEMBL2120688

O=[N+]([O-])c1ccc(NC2CCC(OCC(=S)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 7/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
CNR2 P34972 1/20 0.42
PHGDH O43175 3/20 0.42
TRPV1 Q8NER1 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A9 P48067 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL2617888 1.00 MEN1 (0.45) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL2617814 1.00 MEN1 (0.45) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL2118285 0.92 KMT2A (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2617845 0.92 KMT2A (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2617765 0.92 KMT2A (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2617858 0.88 KMT2A (0.46) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2122947 0.88 KMT2A (0.46) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2617798 0.88 KMT2A (0.46) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2119695 0.88 SERPINE1 (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL2617873 0.88 SERPINE1 (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1

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 MEN1 1277/4885KMT2A 2602/4885MAPT 2856/4885

“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.