SCHEMBL5493779

SCHEMBL5493779

N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
BLM P54132 3/20 0.73
HTR2A P28223 3/20 0.73
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
MAPT P10636 2/20 0.73
TSHR P16473 2/20 0.73
PMP22 Q01453 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
HTR1A P08908 2/20 0.73
NFKB1 P19838 2/20 0.73
HTR2C P28335 2/20 0.73
HTR2B P41595 2/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP3A4 P08684 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
ALOX15 P16050 1/20 0.73
SLC6A4 P31645 1/20 0.73
HTR7 P34969 1/20 0.73
MTOR P42345 1/20 0.73

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
SCHEMBL307776 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL29382361 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL30405928 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL454983 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL19871231 1.00 KMT2A (0.73) KMT2ABLMHTR2AKDM4ELMNA
Tryptophan SCHEMBL7091652 0.94 KMT2A (0.78) KMT2ABLMHTR2AKDM4ELMNA
D-Tryptophan SCHEMBL8103547 0.94 KMT2A (0.78) KMT2ABLMHTR2AKDM4ELMNA
Tryptophan SCHEMBL7091650 0.94 KMT2A (0.78) KMT2ABLMHTR2AKDM4ELMNA
D-Tryptophan SCHEMBL8103544 0.94 KMT2A (0.78) KMT2ABLMHTR2AKDM4ELMNA
SCHEMBL28473836 0.93 HTR2A (0.64) KMT2ABLMHTR2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
CN-112041301-A Compounds having iron death inducing activity and methods of use thereof 费罗治疗公司 2020-12-04 CN disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US disclosed
US-20070111930-A1 PROCESS FOR PREPARING VAPREOTIDE DR. REDDY'S LABORATORIES, INC. 2007-05-17 US disclosed
WO-2003081199-A2 ANTIFOULING AGENT INNOVENTUS PROJECT AB (SE) 2003-10-02 WO disclosed
EP-0203031-B1 BIOLOGICALLY ACTIVE LYSINE CONTAINING OCTAPEPTIDES The Administrators of The Tulane University Educational Fund (US) 1992-07-29 EP disclosed
US-4725577-A Biologically active lysine containing octapeptides ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1988-02-16 US disclosed
US-4650787-A SOMATOSTATIN ANALOG ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND OF NEW ORLEANS, LOUISIANA, THE, 1987-03-17 US disclosed
EP-0203031-A2 Biologically active lysine containing octapeptides The Administrators of The Tulane University Educational Fund (US) 1986-11-26 EP disclosed
US-4224199-A ANTIDIABETIC MEYERS CHESTER A 1980-09-23 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 KMT2A 2510/4885BLM 2168/4885HTR2A 3134/4885
US-20070111930-A1 PROCESS FOR PREPARING VAPREOTIDE VIP, SSTR4, SSTR5 KMT2A 4158/4885BLM 3365/4885HTR2A 3297/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 KMT2A 2475/4885BLM 2902/4885HTR2A 3059/4885

“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.