SCHEMBL2257170

SCHEMBL2257170

Cc1cc(Cl)ccc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL2254886 0.93 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNAMAPK1TSHR
SCHEMBL2257274 0.92 ALDH1A1 (0.45) MAPTSMN1; SMN2LMNAPOLBTP53
SCHEMBL2259720 0.92 TGFBR1 (0.45) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2257528 0.91 POLB (0.46) MAPTSMN1; SMN2NPC1POLBTP53
SCHEMBL2258161 0.90 KDM4E (0.47) SMN1; SMN2LMNANPC1ALDH1A1TGFBR1
SCHEMBL2256806 0.90 L3MBTL1 (0.43) MAPTSMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL2259530 0.90 MAPT (0.45) MAPTLMNANPC1POLBTP53
SCHEMBL2258350 0.88 NPC1 (0.44) MAPTSMN1; SMN2LMNAMAPK1NPC1
SCHEMBL2262678 0.88 RAB9A (0.46) MAPTSMN1; SMN2NPC1POLBTP53
SCHEMBL2255675 0.88 STAT3 (0.56) MAPTSMN1; SMN2LMNAMAPK1NPC1

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 MAPT 4713/4885SMN1; SMN2 4725/4885LMNA 2267/4885

“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.

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