SCHEMBL2066372

SCHEMBL2066372

O=Cc1ccc(O)cc1OCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
FFAR4 Q5NUL3 2/20 0.43
MAOB P27338 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PTP4A3 O75365 1/20 0.41
KMT2A Q03164 2/20 0.40
IDO1 P14902 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
GRM4 Q14833 1/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
PLK1 P53350 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5318561 0.88 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL6767967 0.83 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL2065761 0.80 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL2065098 0.79 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL13956364 0.79 ERN1 (0.52) SMN1; SMN2NPC1MAPTRAB9AMAOB
SCHEMBL10090225 0.75 PTP4A3 (0.74) PTP4A3
SCHEMBL2065505 0.75 PTP4A3 (0.74) PTP4A3
SCHEMBL2065504 0.75 PTP4A3 (0.74) PTP4A3
SCHEMBL2065220 0.74 NPC1 (0.50) ALDH1A1HTTSMN1; SMN2NPC1MAPT
SCHEMBL295293 0.73 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
WO-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 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 (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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS ALDH1A1 2660/4885HTT 2091/4885SMN1; SMN2 4461/4885

“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.