SCHEMBL2256142

SCHEMBL2256142

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GLA P06280 2/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SGMS1 Q86VZ5 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL2256123 0.93 TRPV1 (0.44) ALDH1A1MAPK1GLATGFBR1MAPT
SCHEMBL2258277 0.93 GLA (0.48) ALDH1A1MAPK1GLATGFBR1MAPT
SCHEMBL2256572 0.91 ALDH1A1 (0.43) ALDH1A1MAPK1GLATGFBR1MAPT
SCHEMBL2260836 0.91 TAOK1 (0.43) ALDH1A1TGFBR1MAPTPOLBSGMS1
SCHEMBL2256786 0.90 ALDH1A1 (0.52) ALDH1A1GLATGFBR1MAPTMEN1
SCHEMBL2256384 0.88 TRPV1 (0.42) ALDH1A1MAPK1TGFBR1MAPTLMNA
SCHEMBL2255354 0.87 TRPV1 (0.46) ALDH1A1TGFBR1LMNATRPV1PTPN1
SCHEMBL2260888 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPK1GLATGFBR1MAPT
SCHEMBL2258069 0.85 CA1 (0.47) ALDH1A1GLATGFBR1MEN1POLB
SCHEMBL2257431 0.85 SMN1; SMN2 (0.55) ALDH1A1MAPK1TGFBR1MAPTMEN1

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 ALDH1A1 3692/4885MAPK1 1432/4885GLA 2042/4885

“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.

Send feedback