SCHEMBL16896199

SCHEMBL16896199

O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1CCc1ccccc1)NC1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
TP53 P04637 3/20 0.68
PIK3C2A O00443 1/20 0.61
KDM4E B2RXH2 1/20 0.60
IGSF11 Q5DX21 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
RECQL P46063 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
TLR4 O00206 1/20 0.56
HTT P42858 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL16896100 0.85 LMNA (0.87) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896094 0.85 LMNA (0.87) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896209 0.85 LMNA (0.87) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896169 0.85 KDM4E (0.63) LMNATP53KDM4ESMN1; SMN2RECQL
SCHEMBL16896225 0.84 LMNA (0.74) LMNATP53KDM4EIGSF11ALDH1A1
SCHEMBL16896047 0.84 LMNA (0.74) LMNATP53KDM4EIGSF11ALDH1A1
SCHEMBL16896049 0.84 LMNA (0.85) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896219 0.82 LMNA (0.82) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896106 0.80 TP53 (0.81) LMNATP53TLR4MEN1KMT2A
SCHEMBL16896232 0.78 LMNA (0.75) LMNATP53TLR4MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505768-B2 Compositions and methods for modulating TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-07-16 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-20150197527-A1 COMPOSITIONS AND METHODS FOR MODULATING TLR4 TLR4, TLR3, TLR6 LMNA 1484/4885TP53 1455/4885PIK3C2A 591/4885

“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.