SCHEMBL2065098

SCHEMBL2065098

NCCOc1ccc(C=O)c(OCc2ccccc2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PARP10 Q53GL7 1/20 0.43
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
IDO1 P14902 2/20 0.38
HPGD P15428 1/20 0.38
LTA4H P09960 2/20 0.38
PTP4A3 O75365 1/20 0.38
AR P10275 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
PLA2G2A P14555 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL2065761 0.89 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL5318561 0.84 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL2065965 0.80 POLB (0.49) ALDH1A1NPC1RAB9ALTA4H
SCHEMBL2065220 0.80 NPC1 (0.50) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL2066372 0.79 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL2065107 0.78 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL6767967 0.77 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL2065499 0.73 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MAPTNPC1
SCHEMBL28931504 0.71 PTGDR2 (0.49) ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL2065108 0.71 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2MAPTNPC1

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 2 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

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.