SCHEMBL2257488

SCHEMBL2257488

N#Cc1cccnc1N1CCCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PARP1 P09874 6/20 0.45
▸ PARP2 Q9UGN5 5/20 0.45
▸ PARP3 Q9Y6F1 5/20 0.45
▸ MTOR P42345 1/20 0.44
▸ RPTOR Q8N122 1/20 0.44
▸ MLST8 Q9BVC4 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ RBP4 P02753 1/20 0.41
▸ PANK3 Q9H999 1/20 0.41
▸ RECQL P46063 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
SCHEMBL2258896 0.97 KDM4E (0.49) KDM4EALDH1A1TDP1PARP1PARP2
SCHEMBL14176881 0.88 HSD11B1 (0.44) MEN1KMT2AKDM4EHSD11B1MALT1
SCHEMBL2256551 0.85 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL14176882 0.84 HSD11B1 (0.47) MEN1KMT2AKDM4EHSD11B1MALT1
SCHEMBL2256062 0.82 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2257229 0.82 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL2260184 0.80 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1
SCHEMBL2257175 0.78 KMT2A (0.52) MEN1KMT2APARP1
SCHEMBL2256424 0.77 MAPT (0.45) MEN1KMT2AKDM4EALDH1A1MTOR
SCHEMBL2259894 0.77 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1

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
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

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 MEN1 3422/4885KMT2A 3296/4885KDM4E 2153/4885

“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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