SCHEMBL3474471

SCHEMBL3474471

Cc1ccc2nc(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.53
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
NPC1 O15118 6/20 0.48

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
SCHEMBL3470846 0.93 MMP13 (0.52) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3471849 0.91 MEN1 (0.59) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3472710 0.89 AR (0.55) SMN1; SMN2MEN1KMT2AMAPTHDAC3
SCHEMBL3473591 0.86 RXRA (0.51) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3471882 0.84 RXRA (0.52) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL3473695 0.84 HDAC3 (0.54) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
SCHEMBL3474258 0.84 HDAC3 (0.54) SMN1; SMN2MEN1KMT2AMAPTHDAC3
SCHEMBL3473062 0.83 STIM1 (0.54) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3474828 0.83 RXRA (0.51) MEN1KMT2AMAPTALDH1A1HDAC3
SCHEMBL3473790 0.83 HDAC3 (0.53) SMN1; SMN2MAPTHDAC3HDAC4HDAC1

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 6 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

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 MAP3K5 2851/4885KDM4E 1934/4885SMN1; SMN2 4666/4885

“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.