SCHEMBL2256123

SCHEMBL2256123

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GALR3 O60755 1/20 0.41

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
SCHEMBL2258277 0.94 GLA (0.48) TRPV1ALDH1A1SMN1; SMN2MAPK1GLA
SCHEMBL2256142 0.93 ALDH1A1 (0.42) TRPV1ALDH1A1MAPK1GLATGFBR1
SCHEMBL2256572 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1GLACNR1TGFBR1
SCHEMBL2256786 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GLATGFBR1MAPT
SCHEMBL2257718 0.91 TRPV1 (0.49) TRPV1ALDH1A1MAPK1GLACNR1
SCHEMBL2256282 0.89 LMNA (0.49) TRPV1ALDH1A1SMN1; SMN2CNR1TGFBR1
SCHEMBL2255354 0.89 TRPV1 (0.46) TRPV1ALDH1A1SMN1; SMN2HTTTGFBR1
SCHEMBL2260888 0.88 SMN1; SMN2 (0.46) TRPV1ALDH1A1SMN1; SMN2MAPK1GLA
SCHEMBL2258069 0.87 CA1 (0.47) ALDH1A1GLACNR1HTTTGFBR1
SCHEMBL2257431 0.86 SMN1; SMN2 (0.55) TRPV1ALDH1A1SMN1; SMN2MAPK1CNR1

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 7 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

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 TRPV1 1100/4885ALDH1A1 3692/4885SMN1; SMN2 4725/4885

“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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