SCHEMBL5700151

SCHEMBL5700151

CC(=O)c1cc(I)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
MAPT P10636 2/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
ASPH Q12797 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39
KDM8 Q8N371 1/20 0.39
TET1 Q8NFU7 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
FTO Q9C0B1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL232233 0.81 KDM4E (0.61) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL30524416 0.81 KDM4E (0.61) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL19918058 0.79 ADORA3 (0.45) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL5700355 0.79 ALDH1A1 (0.32) ALDH1A1KDM4EKDM4CMAPTKDM6B
Iodide SCHEMBL3551537 0.79 KDM4E (0.59) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL2490793 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL10199928 0.79 KDR (0.46) ALDH1A1KDM4EKDM4CMAPTPYGL
SCHEMBL5700562 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL13165469 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EKDM4CMAPTKDM6B
SCHEMBL2643682 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EKDM4CMAPTKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885KDM4C 2243/4885

“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.