SCHEMBL2256551

SCHEMBL2256551

N#Cc1cccnc1N1CCCN(C(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ PARP3 Q9Y6F1 1/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RBP4 P02753 2/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL2257229 0.97 KDM4E (0.53) KDM4EMEN1KMT2ADRD2HTR2A
SCHEMBL2258158 0.89 HTR1A (0.49) KDM4EMEN1KMT2ADRD2ALDH1A1
SCHEMBL14176659 0.89 ALDH1A1 (0.43) KDM4EMEN1KMT2AALDH1A1RBP4
SCHEMBL2257488 0.85 MEN1 (0.46) KDM4EMEN1KMT2ADRD2HTR2A
SCHEMBL14176663 0.85 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1RBP4
SCHEMBL2259427 0.84 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1PARP1
SCHEMBL2258896 0.82 KDM4E (0.49) KDM4EDRD2HTR2AALDH1A1PARP1
SCHEMBL2256762 0.82 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2255578 0.81 GAA (0.56) KDM4EMEN1KMT2ADRD2ALDH1A1
SCHEMBL2257410 0.80 MEN1 (0.48) KDM4EMEN1KMT2ADRD2HTR2A

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 2153/4885MEN1 3422/4885KMT2A 3296/4885

“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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