SCHEMBL2259974

SCHEMBL2259974

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2cnccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NAMPT P43490 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ GAA P10253 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
SCHEMBL2260184 0.90 KDM4E (0.55) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL3474954 0.86 SLC6A7 (0.57) SLC6A7MEN1MAPTKMT2ANAMPT
SCHEMBL2256062 0.85 MEN1 (0.52) SLC6A7MEN1KMT2AKDM4EHSD17B10
SCHEMBL12361714 0.85 HTT (0.55) MEN1MAPTKMT2ANAMPTKDM4E
SCHEMBL2256424 0.85 MAPT (0.45) MEN1MAPTKMT2ANAMPTKDM4E
SCHEMBL2256734 0.83 IRAK4 (0.47) SLC6A7MEN1MAPTKMT2AKDM4E
SCHEMBL2259894 0.82 ALDH1A1 (0.50) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL2261140 0.81 RAB9A (0.47) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL14176882 0.81 HSD11B1 (0.47) MEN1MAPTKMT2AKDM4EHSD17B10
SCHEMBL2258178 0.80 TACR3 (0.47) MEN1MAPTKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 SLC6A7 3294/4885MEN1 3422/4885MAPT 4713/4885

“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.

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