SCHEMBL3473078

SCHEMBL3473078

O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
TP53 P04637 4/20 0.53
POLB P06746 3/20 0.52
ORAI1 Q96D31 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
THRB P10828 3/20 0.48
RXRA P19793 1/20 0.48
NR1H2 P55055 1/20 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
SCHEMBL3474999 0.92 MAPT (0.54) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3471268 0.88 KMT2A (0.56) MAPTSMN1; SMN2POLBMAPK1LMNA
SCHEMBL3471277 0.87 MAPT (0.57) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3471938 0.87 ORAI1 (0.60) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3471324 0.87 MAPT (0.59) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3472102 0.86 MAPT (0.61) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3474142 0.86 MAPT (0.59) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL14622689 0.86 MAPT (0.51) MAPTSMN1; SMN2TP53POLBRAB9A
SCHEMBL3471118 0.86 MAPT (0.57) MAPTSMN1; SMN2TP53POLBORAI1
SCHEMBL3472857 0.86 MAPT (0.57) MAPTSMN1; SMN2TP53POLBORAI1

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 MAPT 4737/4885SMN1; SMN2 4666/4885TP53 4318/4885

“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.