SCHEMBL2256385

SCHEMBL2256385

Cc1cc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)no1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
RIPK1 Q13546 1/20 0.44
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3473563 0.85 RXRA (0.52) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL14177291 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2256324 0.79 CARM1 (0.46) KDM4EGAAMAPT
SCHEMBL2256471 0.79 KLKB1 (0.51)
SCHEMBL2260702 0.79 RIPK1 (0.45) RIPK1
SCHEMBL2259502 0.79 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2256549 0.79 CARM1 (0.46)
SCHEMBL2260910 0.78 F10 (0.51) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6783789 0.78 KLKB1 (0.48) KMT2A
SCHEMBL2259093 0.78 NPC1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A

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 RAB9A 1352/4885NPC1 108/4885SMN1; 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.