SCHEMBL2256183

SCHEMBL2256183

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCOc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PTBP1 P26599 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TGFBR1 P36897 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ATM Q13315 1/20 0.40

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
SCHEMBL2259382 0.93 POLB (0.47) HPGDTSHRSMN1; SMN2PTBP1L3MBTL1
SCHEMBL2258106 0.90 TGFBR1 (0.42) HPGDTSHRSMN1; SMN2PTBP1L3MBTL1
SCHEMBL2255354 0.86 TRPV1 (0.46) SMN1; SMN2PKMRAB9AALDH1A1TGFBR1
SCHEMBL2258277 0.86 GLA (0.48) TSHRSMN1; SMN2L3MBTL1ALDH1A1TGFBR1
SCHEMBL2263175 0.85 ALDH1A1 (0.46) HPGDKMT2AMEN1ALDH1A1TGFBR1
SCHEMBL2256123 0.84 TRPV1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1TGFBR1MAPK1
SCHEMBL2261376 0.84 TGFBR1 (0.42) HPGDTSHRL3MBTL1KMT2AMEN1
SCHEMBL12361543 0.83 RAB9A (0.51) HPGDTSHRKMT2ARAB9ANPC1
SCHEMBL2257541 0.83 TRPV1 (0.46) RAB9AALDH1A1NPC1TGFBR1LMNA
SCHEMBL2257431 0.83 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KMT2AMEN1PKM

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 HPGD 866/4885TSHR 519/4885SMN1; 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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