SCHEMBL21309683

SCHEMBL21309683

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.73
KMT2A Q03164 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
BLM P54132 2/20 0.73
PMP22 Q01453 2/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP3A4 P08684 1/20 0.73
HTR1A P08908 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
ALOX15 P16050 1/20 0.73
NFKB1 P19838 1/20 0.73
HTR2C P28335 1/20 0.73
SLC6A4 P31645 1/20 0.73
HTR7 P34969 1/20 0.73
HTR2B P41595 1/20 0.73
MTOR P42345 1/20 0.73
NPSR1 Q6W5P4 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
SCHEMBL31642414 1.00 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL195273 1.00 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL29403355 1.00 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL195272 1.00 HTR2A (0.73) HTR2AKMT2AKDM4ELMNAMAPT
Tryptophan SCHEMBL11375111 0.94 KMT2A (0.78) HTR2AKMT2AKDM4ELMNAMAPT
Dl-Tryptophan SCHEMBL11375109 0.94 KMT2A (0.78) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL28473836 0.93 HTR2A (0.64) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL28473837 0.93 HTR2A (0.64) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL18029175 0.89 KMT2A (0.66) HTR2AKMT2AKDM4ELMNAMAPT
SCHEMBL456668 0.89 KMT2A (0.66) HTR2AKMT2AKDM4ELMNAMAPT

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
CN-108315370-A A kind of preparation method of halogen tryptophan 滨海吉尔多肽有限公司 2018-07-24 CN claimed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
CN-113861097-A Synthesis method of multi-configuration 1-Boc-N-Fmoc tryptophan compound 苏州爱玛特生物科技有限公司 2021-12-31 CN disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 HTR2A 3134/4885KMT2A 2510/4885KDM4E 2312/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 HTR2A 3059/4885KMT2A 2475/4885KDM4E 2426/4885

“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.