SCHEMBL2258038

SCHEMBL2258038

Cc1ccc(C)c(N2CCN(C(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 7/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 4/20 0.46
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MC4R P32245 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL2259550 0.93 MC4R (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL2258114 0.89 MAPT (0.49) MAPTTP53LMNAMEN1KMT2A
SCHEMBL2261419 0.87 MEN1 (0.61) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL2257410 0.87 MEN1 (0.48) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL2258557 0.87 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1MC4R
SCHEMBL2255578 0.87 GAA (0.56) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL14177068 0.86 MEN1 (0.48) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL2259046 0.85 MAPT (0.47) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL2258410 0.85 KDM4E (0.44) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL2258158 0.84 HTR1A (0.49) MAPTTP53MEN1KMT2ATSHR

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 MAPT 4713/4885TP53 4361/4885LMNA 2267/4885

“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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