SCHEMBL2257431

SCHEMBL2257431

O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ PKM P14618 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.49
▸ TGFBR1 P36897 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CRACR2A Q9BSW2 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC16A3 O15427 1/20 0.39
▸ SLC16A1 P53985 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL2258277 0.88 GLA (0.48) SMN1; SMN2HTTALDH1A1KDM4ETGFBR1
SCHEMBL2255354 0.88 TRPV1 (0.46) SMN1; SMN2PKMHTTALDH1A1RAB9A
SCHEMBL2256123 0.86 TRPV1 (0.44) SMN1; SMN2HTTALDH1A1KDM4ETGFBR1
SCHEMBL2257541 0.85 TRPV1 (0.46) ALDH1A1RAB9AKDM4ETGFBR1CNR1
SCHEMBL2256384 0.85 TRPV1 (0.42) SMN1; SMN2PKMHTTALDH1A1RAB9A
SCHEMBL2256142 0.85 ALDH1A1 (0.42) ALDH1A1TGFBR1MEN1KMT2AUSP2
SCHEMBL2256282 0.85 LMNA (0.49) SMN1; SMN2ALDH1A1RAB9AKDM4ETGFBR1
SCHEMBL2256572 0.85 ALDH1A1 (0.43) PKMALDH1A1RAB9AKDM4ETGFBR1
SCHEMBL2255860 0.85 TGFBR1 (0.42) ALDH1A1TGFBR1MAPTTRPV1
SCHEMBL2261376 0.84 TGFBR1 (0.42) PKMALDH1A1RAB9AKDM4ETGFBR1

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 SMN1; SMN2 4725/4885PKM 3163/4885HTT 4571/4885

“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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