SCHEMBL2256292

SCHEMBL2256292

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
P2RY1 P47900 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.43
ORAI1 Q96D31 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CETP P11597 2/20 0.42
RHOC P08134 2/20 0.41
RHOA P61586 2/20 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
SCHEMBL2259033 0.95 TGFBR1 (0.47) TGFBR1P2RY1ALDH1A1KDM4EPOLB
SCHEMBL2260618 0.95 HPGD (0.46) TGFBR1P2RY1ALDH1A1HPGDKDM4E
SCHEMBL2260546 0.92 TLR8 (0.50) TGFBR1P2RY1ALDH1A1KMT2AMAPT
SCHEMBL2257141 0.90 P2RY1 (0.55) TGFBR1P2RY1ALDH1A1HPGDCYP1A2
SCHEMBL2257314 0.90 TGFBR1 (0.47) TGFBR1P2RY1ALDH1A1KDM4EMEN1
SCHEMBL2257201 0.89 TGFBR1 (0.45) TGFBR1P2RY1ALDH1A1HPGDKDM4E
SCHEMBL2263535 0.89 KCNJ5 (0.48) TGFBR1P2RY1ALDH1A1KDM4EKMT2A
SCHEMBL2259123 0.89 KDM4E (0.47) TGFBR1P2RY1ALDH1A1HPGDKDM4E
SCHEMBL2261097 0.89 TGFBR1 (0.47) TGFBR1P2RY1KDM4ECYP1A2CYP2C9
SCHEMBL2262903 0.88 TGFBR1 (0.48) TGFBR1P2RY1ALDH1A1HPGDKDM4E

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 TGFBR1 481/4885P2RY1 302/4885ALDH1A1 3692/4885

“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.