SCHEMBL3470846

SCHEMBL3470846

O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.52
LRRK2 Q5S007 2/20 0.50
MAPT P10636 2/20 0.49
KDR P35968 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 3/20 0.47
SENP8 Q96LD8 3/20 0.47
SENP7 Q9BQF6 3/20 0.47
SENP6 Q9GZR1 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
CSNK1D P48730 1/20 0.47

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
SCHEMBL3474471 0.93 MAP3K5 (0.53) LRRK2MAPTMEN1KMT2ARAB9A
SCHEMBL3471849 0.90 MEN1 (0.59) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL3472710 0.90 AR (0.55) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3473591 0.84 RXRA (0.51) MAPTRAB9ANPC1SMN1; SMN2RXRA
SCHEMBL3475287 0.82 KDM4E (0.55) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL3471938 0.82 ORAI1 (0.60) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471067 0.82 TAS1R3 (0.53) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL3471882 0.81 RXRA (0.52) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3475242 0.81 RXRA (0.49) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3472034 0.81 RXRA (0.51) MAPTRAB9AKDM4ESMN1; SMN2RXRA

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
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MMP13 4738/4885LRRK2 3091/4885MAPT 4737/4885

“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.