SCHEMBL2065220

SCHEMBL2065220

O=Cc1ccc(OCCNC(=O)c2ccccc2)cc1OCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 1/20 0.50
F10 P00742 2/20 0.47
ALDH1A1 P00352 2/20 0.42
BRD4 O60885 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
RECQL P46063 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PARP10 Q53GL7 1/20 0.41
MTNR1B P49286 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL10090187 0.81 PTP4A3 (0.59)
SCHEMBL2065389 0.81 PTP4A3 (0.59)
SCHEMBL2065761 0.81 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2065098 0.80 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5318561 0.78 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2065107 0.77 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL3708469 0.76 HDAC8 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2066372 0.74 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2065108 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL11433155 0.72 NPC1 (0.93) NPC1RAB9ASMN1; SMN2HPGDF10

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 NPC1 4654/4885RAB9A 125/4885SMN1; 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.