SCHEMBL414298

SCHEMBL414298

O=C(O)CCCN1CCN(c2nnc(C(F)(F)F)s2)CC1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.38
PHGDH O43175 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LCAT P04180 2/20 0.37
SLC6A9 P48067 2/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
HTR1A P08908 1/20 0.35

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
SCHEMBL12042057 0.99 HTT (0.46) HTTALDH1A1ATMPOLBCYP1A2
SCHEMBL414029 0.92 HTT (0.47) HTTALDH1A1ATMPOLBMEN1
SCHEMBL12042000 0.91 HTT (0.48) HTTALDH1A1ATMPOLBMEN1
Lithium Ion SCHEMBL414299 0.86 ATM (0.44) HTTALDH1A1ATMMEN1KMT2A
Lithium Ion SCHEMBL414030 0.81 ATM (0.46) HTTALDH1A1ATMMEN1KMT2A
SCHEMBL12059413 0.73 ATM (0.38) HTTALDH1A1ATMPOLBMEN1
SCHEMBL13447349 0.72 ATM (0.59) HTTALDH1A1ATMMEN1KMT2A
SCHEMBL18711350 0.72 ATM (0.52) HTTALDH1A1ATMSMN1; SMN2MEN1
SCHEMBL2119090 0.71 ATM (0.52) HTTALDH1A1ATMPOLBMEN1
SCHEMBL381636 0.70 DRD2 (0.60) HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO HTT 156/4885ALDH1A1 864/4885ATM 4691/4885

“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.