SCHEMBL17830356

SCHEMBL17830356

O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 9/20 0.84
RIPK1 Q13546 6/20 0.67
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
RIPK3 Q9Y572 1/20 0.50
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 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
SCHEMBL20053071 1.00 TNF (0.84) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830359 0.92 TNF (0.81) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830357 0.92 TNF (1.00) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17819197 0.92 TNF (1.00) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830355 0.89 TNF (0.80) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830353 0.88 TNF (0.81) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830351 0.86 TNF (0.85) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17830347 0.86 TNF (1.00) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL18216778 0.86 TNF (1.00) TNFRIPK1KMT2AL3MBTL1MEN1
SCHEMBL17819261 0.86 TNF (1.00) TNFRIPK1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2019-01-24 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-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
US-9499521-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-22 US disclosed
US-9499521-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-22 US disclosed
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 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 (3 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
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885RIPK1 198/4885KMT2A 4813/4885
US-20190023690-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.