SCHEMBL2256424

SCHEMBL2256424

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ RPTOR Q8N122 1/20 0.41
▸ MLST8 Q9BVC4 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ ATM Q13315 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
SCHEMBL2256062 0.87 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2258635 0.86 ALDH1A1 (0.47) TSHRCYP3A4CYP1A2KDM4EALDH1A1
SCHEMBL2259894 0.86 ALDH1A1 (0.50) MAPTMEN1KMT2ATSHRCYP1A2
SCHEMBL2260184 0.85 KDM4E (0.55) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL3473795 0.85 RXRA (0.49) MAPTMEN1KMT2AAKR1C3TSHR
SCHEMBL2259974 0.85 SLC6A7 (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14176882 0.82 HSD11B1 (0.47) MAPTMEN1KMT2AKDM4ETRPV1
SCHEMBL2257039 0.81 TRPV1 (0.42) MAPTMEN1KMT2ACNR1TRPV1
SCHEMBL12361714 0.81 HTT (0.55) MAPTMEN1KMT2ATSHRCYP3A4
SCHEMBL2261140 0.81 RAB9A (0.47) MAPTMEN1KMT2AKDM4EALDH1A1

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 4713/4885MEN1 3422/4885KMT2A 3296/4885

“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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