SCHEMBL2258410

SCHEMBL2258410

Cc1cccc(N2CCN(C(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MC4R P32245 2/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL2256762 0.89 KDM4E (0.57) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2258114 0.87 MAPT (0.49) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2257410 0.87 MEN1 (0.48) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2258054 0.85 MAPT (0.52) MEN1KMT2ATSHRALDH1A1GRM5
SCHEMBL2258557 0.85 MEN1 (0.48) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2261419 0.85 MEN1 (0.61) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL2255578 0.85 GAA (0.56) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2259046 0.85 MAPT (0.47) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2256734 0.85 IRAK4 (0.47) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL2258038 0.85 MAPT (0.49) MEN1KMT2ATSHRALDH1A1MC4R

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 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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