SCHEMBL2260757

SCHEMBL2260757

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.45
NR2E1 Q9Y466 5/20 0.45
RHOC P08134 4/20 0.44
RHOA P61586 4/20 0.44
TLR7 Q9NYK1 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
TACR1 P25103 1/20 0.42
RORA P35398 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NNMT P40261 1/20 0.40
JUN P05412 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
SCHEMBL2258105 0.92 MAPT (0.52) TGFBR1MEN1KMT2AGAAMAPT
SCHEMBL2263535 0.92 KCNJ5 (0.48) TGFBR1RHOCRHOAKMT2AGAA
SCHEMBL2257314 0.91 TGFBR1 (0.47) TGFBR1RHOCRHOAMEN1KMT2A
SCHEMBL2256536 0.90 TGFBR1 (0.45) TGFBR1MEN1KMT2AALDH1A1NPC1
SCHEMBL2260546 0.90 TLR8 (0.50) TGFBR1RHOCRHOATLR7KMT2A
SCHEMBL2257476 0.89 TGFBR1 (0.47) TGFBR1NR2E1MEN1KMT2AMAPT
SCHEMBL2260618 0.89 HPGD (0.46) TGFBR1RHOCRHOAKMT2AALDH1A1
SCHEMBL15706879 0.89 RAB9A (0.49) TGFBR1MEN1KMT2AMAPTALDH1A1
SCHEMBL2256579 0.89 ALDH1A1 (0.49) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL2259123 0.88 KDM4E (0.47) TGFBR1MAPTALDH1A1NFKB1NFKB2

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 TGFBR1 481/4885NR2E1 87/4885RHOC 1252/4885

“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.