SCHEMBL17830391

SCHEMBL17830391

O=C1NC(Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 9/20 0.86
RIPK1 Q13546 5/20 0.62
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL17830334 1.00 TNF (0.86) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17830337 0.93 TNF (0.78) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17830327 0.93 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17819258 0.93 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17830354 0.90 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17819195 0.90 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17830348 0.88 TNF (0.74) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL18216778 0.85 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17830347 0.85 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT
SCHEMBL17819192 0.85 TNF (1.00) TNFRIPK1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 US disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 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-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885RIPK1 198/4885KMT2A 4813/4885

“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.