SCHEMBL2617860

SCHEMBL2617860

O=[N+]([O-])c1ccc(O[C@H]2CC[C@H](OCC(=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 1/20 0.44
PRKAA2 P54646 1/20 0.42
ALDH1A1 P00352 2/20 0.41
IDE P14735 1/20 0.41
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 4/20 0.40
ENPP2 Q13822 1/20 0.40
HTT P42858 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL2617796 1.00 SERPINE1 (0.50) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2121209 1.00 SERPINE1 (0.50) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2119364 0.92 SERPINE1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617863 0.92 SERPINE1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617797 0.92 SERPINE1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617829 0.92 SERPINE1 (0.53) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2617756 0.92 SERPINE1 (0.53) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2122321 0.92 SERPINE1 (0.53) SERPINE1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2121504 0.90 TIPARP (0.43) SERPINE1PRKAA2
SCHEMBL2617856 0.90 TIPARP (0.43) SERPINE1PRKAA2

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
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 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.