SCHEMBL12361714

SCHEMBL12361714

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ LMNA P02545 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL2260184 0.88 KDM4E (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2259974 0.85 SLC6A7 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2329750 0.85 ALDH1A1 (0.49) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL2256062 0.84 MEN1 (0.52) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL2259894 0.82 ALDH1A1 (0.50) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL2261140 0.81 RAB9A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2256424 0.81 MAPT (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL14176882 0.79 HSD11B1 (0.47) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL2257039 0.78 TRPV1 (0.42) MEN1KMT2AMAPT
SCHEMBL2260490 0.78 DRD2 (0.44) —

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 5 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-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 HTT 4571/4885L3MBTL1 1269/4885LMNA 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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