SCHEMBL2259502

SCHEMBL2259502

Cc1nnc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
RXRA P19793 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
STIM1 Q13586 1/20 0.42

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
SCHEMBL15663215 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL2257494 0.87 CYP1A2 (0.54) SMN1; SMN2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL14176689 0.87 NPC1 (0.47) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL2257261 0.85 HPGD (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL3471882 0.85 RXRA (0.52) SMN1; SMN2TP53ALDH1A1RAB9ANPC1
SCHEMBL2259093 0.83 NPC1 (0.48) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL2256799 0.81 TGFBR1 (0.42) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL12361691 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL15707297 0.81 KMT2A (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDRAB9A
SCHEMBL2260702 0.80 RIPK1 (0.45) RXRANR1H2NR1H3F2F10

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 SMN1; SMN2 4725/4885TP53 4361/4885ALDH1A1 3692/4885

“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.