SCHEMBL2258114

SCHEMBL2258114

Cc1cccc(N2CCN(C(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ USP2 O75604 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTR1D P28221 2/20 0.46
▸ HTR1B P28222 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2257410 0.89 MEN1 (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2258038 0.89 MAPT (0.49) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2259550 0.89 MC4R (0.46) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2255578 0.88 GAA (0.56) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2258557 0.88 MEN1 (0.48) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2261419 0.88 MEN1 (0.61) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2258410 0.87 KDM4E (0.44) MAPTKMT2AMEN1LMNAHTT
SCHEMBL14177068 0.87 MEN1 (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2258054 0.86 MAPT (0.52) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2259046 0.86 MAPT (0.47) MAPTKMT2AMEN1LMNAHTT

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 4713/4885KMT2A 3296/4885MEN1 3422/4885

“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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