SCHEMBL2617831

SCHEMBL2617831

O=C(CO[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.45
SLC6A9 P48067 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
ENPP2 Q13822 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL2119316 1.00 KMT2A (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617759 1.00 KMT2A (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2122947 0.92 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617798 0.92 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617858 0.92 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617765 0.88 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2118285 0.88 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617845 0.88 KMT2A (0.51) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2617829 0.87 SERPINE1 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL2122321 0.87 SERPINE1 (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT

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 2602/4885SMN1; SMN2 4488/4885MEN1 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.