SCHEMBL838121

SCHEMBL838121

N[C@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.64
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
TSHR P16473 2/20 0.62
BLM P54132 2/20 0.62
PMP22 Q01453 2/20 0.62
MEN1 O00255 2/20 0.62
MPO P05164 1/20 0.62
HIF1A Q16665 1/20 0.62
HTR2A P28223 2/20 0.55
SLC6A4 P31645 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2C P28335 1/20 0.51

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
SCHEMBL837413 1.00 TNF (0.64) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL30495964 1.00 TNF (0.64) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL18028962 1.00 TNF (0.64) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL3467251 1.00 TNF (0.64) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL19846988 0.88 HTR2A (0.54) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL1460647 0.86 MAPT (0.69) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL18029110 0.86 MAPT (0.69) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL1460650 0.86 MAPT (0.69) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL24328355 0.84 SMN1; SMN2 (0.61) TNFKMT2AKDM4ELMNAMAPT
SCHEMBL20816074 0.84 MAPT (0.63) TNFKMT2AKDM4ELMNAMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 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
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 US disclosed
US-20030135880-A1 Compositions and methods for halogenation reactions STEFFENS JOHN (US) 2003-07-17 US disclosed
EP-1238062-A1 COMPOSITIONS AND METHODS FOR HALOGENATION REACTIONS Syngenta Participations AG (CH) 2002-09-11 EP disclosed
WO-2001044447-A1 COMPOSITIONS AND METHODS FOR HALOGENATION REACTIONS SYNGENTA PARTICIPATIONS AG (CH) 2001-06-21 WO 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 (4 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-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD TNF 1/4885KMT2A 4809/4885KDM4E 4662/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD TNF 1/4885KMT2A 4809/4885KDM4E 4662/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD TNF 1/4885KMT2A 4809/4885KDM4E 4662/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TNF 4219/4885KMT2A 3415/4885KDM4E 3586/4885

“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.