SCHEMBL2256147

SCHEMBL2256147

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
TRPV1 Q8NER1 1/20 0.47
ORAI1 Q96D31 1/20 0.46
TGFBR1 P36897 1/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
P2RY1 P47900 1/20 0.44
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
PABPC1 P11940 1/20 0.43
P2RY14 Q15391 2/20 0.42
NAMPT P43490 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
SCHEMBL2261097 0.90 TGFBR1 (0.47) NOTUMTGFBR1NPC1MEN1POLB
SCHEMBL2257248 0.88 TRPV1 (0.47) NOTUMTRPV1ORAI1NPC1MEN1
SCHEMBL2260618 0.87 HPGD (0.46) ORAI1TGFBR1KMT2AALDH1A1CYP1A2
SCHEMBL2257314 0.87 TGFBR1 (0.47) NOTUMTRPV1TGFBR1NPC1MEN1
SCHEMBL2257658 0.86 KCNJ6 (0.49) NOTUMTRPV1ORAI1TGFBR1MEN1
SCHEMBL2260513 0.86 TGFBR1 (0.44) NOTUMTRPV1TGFBR1NPC1MEN1
SCHEMBL14177079 0.86 TGFBR1 (0.44) NOTUMTRPV1TGFBR1NPC1MEN1
SCHEMBL2255924 0.86 TGFBR1 (0.44) NOTUMTGFBR1NPC1MEN1POLB
SCHEMBL2257201 0.86 TGFBR1 (0.45) NOTUMORAI1TGFBR1ALDH1A1CYP1A2
SCHEMBL2263535 0.86 KCNJ5 (0.48) TGFBR1MAPTKMT2AALDH1A1P2RY1

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 NOTUM 1781/4885TRPV1 1100/4885ORAI1 3594/4885

“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.