SCHEMBL2257229

SCHEMBL2257229

N#Cc1cccnc1N1CCN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ DRD2 P14416 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ PARP3 Q9Y6F1 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RBP4 P02753 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ TP53 P04637 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
SCHEMBL2256551 0.97 KDM4E (0.50) KDM4EDRD2HTR2AALDH1A1HTR1A
SCHEMBL2258158 0.92 HTR1A (0.49) KDM4EDRD2ALDH1A1HTR1ATHRB
SCHEMBL14176663 0.88 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2ARBP4
SCHEMBL2259427 0.86 ALDH1A1 (0.44) KDM4EALDH1A1PARP1MEN1KMT2A
SCHEMBL14176659 0.85 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2ARBP4
SCHEMBL2258896 0.84 KDM4E (0.49) KDM4EDRD2HTR2AALDH1A1HTR1A
SCHEMBL2256762 0.84 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2255578 0.82 GAA (0.56) KDM4EDRD2ALDH1A1MEN1KMT2A
SCHEMBL2258557 0.82 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2ARBP4
SCHEMBL2259046 0.82 MAPT (0.47) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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 7 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

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 KDM4E 2153/4885DRD2 1486/4885HTR2A 2320/4885

“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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