SCHEMBL2259904

SCHEMBL2259904

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TRPV1 Q8NER1 3/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38

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
SCHEMBL2263324 0.92 MAPT (0.50) MAPTMEN1KMT2ATRPV1GAA
SCHEMBL3215049 0.86 TRPV1 (0.49) MAPTLMNAPKMTRPV1HPGD
SCHEMBL2254827 0.85 MAPT (0.59) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12361543 0.85 RAB9A (0.51) LMNAKMT2ATRPV1HPGDTGFBR1
SCHEMBL2258030 0.84 TACR1 (0.39) MAPTLMNASMN1; SMN2TGFBR1TP53
SCHEMBL2258036 0.84 TACR1 (0.39) MAPTLMNASMN1; SMN2TGFBR1TP53
SCHEMBL2256831 0.84 TRPV1 (0.52) MEN1KMT2ATRPV1TGFBR1P2RX7
SCHEMBL2260645 0.83 TRPV1 (0.49) LMNATRPV1SMN1; SMN2P2RX7
SCHEMBL2256515 0.83 TRPV1 (0.47) TRPV1SMN1; SMN2TGFBR1P2RX7POLB
SCHEMBL2258903 0.83 TRPV1 (0.47) TRPV1TGFBR1P2RX7POLBNPC1

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 4713/4885LMNA 2267/4885PKM 3163/4885

“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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