SCHEMBL17828249

SCHEMBL17828249

O=Cc1c[nH]c2c(Cl)c(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PIM3 Q86V86 10/20 0.46
PIM1 P11309 8/20 0.46
PIM2 Q9P1W9 2/20 0.46
TNF P01375 4/20 0.46
AR P10275 1/20 0.43
RIPK1 Q13546 3/20 0.43
RIPK3 Q9Y572 1/20 0.43
HTR2A P28223 1/20 0.41
CYP2A6 P11509 2/20 0.41
IMPDH2 P12268 1/20 0.41

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
SCHEMBL29958526 1.00 TRIM24 (0.47) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL17829692 0.82 CSNK2A2 (0.50) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29951142 0.82 TRIM24 (0.50) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL2539628 0.82 TRIM24 (0.50) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL2534041 0.79 TRIM24 (0.47) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29955047 0.79 ERN1 (0.50) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29952798 0.79 PIM3 (0.50) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29953642 0.79 PIM3 (0.51) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29951655 0.79 TRIM24 (0.47) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL14519078 0.79 PIM3 (0.65) TRIM24TRIM33PIM3PIM1PIM2

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-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
WO-2016094846-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 WO 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 (2 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 TRIM24 3659/4885TRIM33 4782/4885PIM3 3306/4885
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TRIM24 3659/4885TRIM33 4782/4885PIM3 3306/4885

“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.