SCHEMBL3473988

SCHEMBL3473988

O=C(Nc1ccc(F)c(F)c1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.55
RXRA P19793 2/20 0.52
NR1H2 P55055 2/20 0.52
NR1H3 Q13133 2/20 0.52
POLB P06746 1/20 0.51
ORAI1 Q96D31 1/20 0.50
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
THRB P10828 2/20 0.47
CRACR2A Q9BSW2 3/20 0.47
NR3C2 P08235 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL3471335 0.94 MAPT (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3470681 0.93 MAPT (0.53) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL15690926 0.92 MAPT (0.52) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3471938 0.91 ORAI1 (0.60) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3475370 0.90 MAPT (0.54) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3472102 0.90 MAPT (0.61) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3472390 0.90 RXRA (0.53) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3474587 0.90 RXRA (0.55) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3474338 0.89 MAPT (0.50) MAPTSMN1; SMN2TP53RXRANR1H2
SCHEMBL3473969 0.89 MAPT (0.60) MAPTSMN1; SMN2TP53RXRANR1H2

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.