SCHEMBL2263175

SCHEMBL2263175

COc1ccccc1CCNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ CARM1 Q86X55 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL15706909 0.95 LMNA (0.42) ALDH1A1HPGDLMNACARM1TGFBR1
SCHEMBL2255449 0.91 NPSR1 (0.51) ALDH1A1NPSR1CARM1
SCHEMBL2255354 0.91 TRPV1 (0.46) ALDH1A1LMNATP53TGFBR1
SCHEMBL2255860 0.90 TGFBR1 (0.42) ALDH1A1LMNATP53TGFBR1SLC2A1
SCHEMBL2259382 0.89 POLB (0.47) ALDH1A1HPGDLMNAMTNR1AMTNR1B
SCHEMBL2257541 0.89 TRPV1 (0.46) ALDH1A1LMNATGFBR1
SCHEMBL2256384 0.88 TRPV1 (0.42) ALDH1A1LMNATP53TGFBR1
SCHEMBL2256786 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1TGFBR1
SCHEMBL2256282 0.86 LMNA (0.49) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL2258277 0.86 GLA (0.48) ALDH1A1LMNATP53CARM1TGFBR1

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 ALDH1A1 3692/4885HPGD 866/4885MEN1 3422/4885

“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.

Send feedback