SCHEMBL2263324

SCHEMBL2263324

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B2 P37059 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ AANAT Q16613 1/20 0.46
▸ GOT1 P17174 3/20 0.44

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
SCHEMBL2259904 0.92 MAPT (0.45) MAPTGAANPC1POLBRAB9A
SCHEMBL2258570 0.91 MTNR1A (0.49) MAPTGAAKMT2AMEN1TRPV1
SCHEMBL2255354 0.87 TRPV1 (0.46) GAARAB9AALDH1A1TRPV1
SCHEMBL2257541 0.85 TRPV1 (0.46) GAANPC1RAB9AALDH1A1TRPV1
SCHEMBL2258066 0.84 MMP2 (0.47) MAPTALDH1A1
SCHEMBL2260864 0.84 NPC1 (0.56) MAPTNPC1POLBRAB9AKMT2A
SCHEMBL2256384 0.84 TRPV1 (0.42) MAPTRAB9AALDH1A1TRPV1
SCHEMBL2256282 0.84 LMNA (0.49) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL2255860 0.84 TGFBR1 (0.42) MAPTALDH1A1TRPV1
SCHEMBL2254827 0.83 MAPT (0.59) MAPTPOLBKMT2AMEN1ALDH1A1

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 4713/4885GAA 3209/4885HSD17B2 758/4885

“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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