SCHEMBL6205544

SCHEMBL6205544

C[C@](N)(C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
DAO P14920 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FLT3 P36888 1/20 0.46
AHR P35869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
ALOX5 P09917 1/20 0.41
BRD4 O60885 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
SCHEMBL28525518 1.00 KDM4E (0.49) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL12827006 0.83 KDM4E (0.51) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL4661763 0.82 KDM4E (0.50) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL518792 0.79 KDM4E (0.47) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL31070307 0.78 KDM4E (0.53) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL9577471 0.77 KDM4E (0.49) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL14694209 0.77 AOC3 (0.56) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL15641062 0.76 IDO1 (0.48) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL5692312 0.75 AHR (0.56) KDM4EDAOMAPTHPGDSRD5A2
Indole-2-Carboxylic Acid SCHEMBL27785397 0.75 KDM4E (0.80) KDM4EDAOMAPTHPGDSRD5A2

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-114134186-B Method for synthesizing 5-hydroxy beta-indolylalanine by using glucose as substrate biological method 河北维达康生物科技有限公司 2025-04-22 CN disclosed
EP-1313736-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS INHIBITORS OF PDE5 LILLY ICOS LLC (US) 2005-07-27 EP disclosed
US-6903099-B2 Condensed pyrazindione derivatives LILLY ICOS LLC (US) 2005-06-07 US disclosed
US-20030181457-A1 Chemical compounds LILLY ICOS LLC 2003-09-25 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 (1 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-20030181457-A1 Chemical compounds ABCG2, SDHA, CYP11B1 KDM4E 4466/4885DAO 1427/4885MAPT 294/4885

“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.