SCHEMBL860449

SCHEMBL860449

C=C1N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.82
TNF P01375 8/20 0.59
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
IDO1 P14902 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK2 O43353 1/20 0.42

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
SCHEMBL860017 1.00 RIPK1 (0.82) RIPK1TNFMAPTTP53GLA
SCHEMBL860613 1.00 RIPK1 (0.82) RIPK1TNFMAPTTP53GLA
SCHEMBL29362205 0.90 RIPK1 (1.00) RIPK1TNFMAPTTP53GLA
SCHEMBL29638037 0.90 RIPK1 (1.00) RIPK1TNFMAPTTP53GLA
SCHEMBL859928 0.90 RIPK1 (1.00) RIPK1TNFMAPTTP53GLA
SCHEMBL859956 0.90 RIPK1 (1.00) RIPK1TNFMAPTTP53GLA
SCHEMBL860317 0.90 RIPK1 (1.00) RIPK1TNFMAPTTP53GLA
SCHEMBL9945430 0.87 RIPK1 (0.70) RIPK1TNFMAPTHTR2AKMT2A
SCHEMBL837405 0.87 RIPK1 (0.80) RIPK1TNFMAPTTP53GLA
SCHEMBL9945433 0.87 RIPK1 (0.62) RIPK1TNFMAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 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-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD RIPK1 135/4885TNF 1/4885MAPT 831/4885

“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.