SCHEMBL10090165

SCHEMBL10090165

COCCN1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 4/20 0.58
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.57
HTR5A P47898 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL29865235 1.00 MEN1 (0.62) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL19957707 0.90 TDP1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL12732926 0.87 CYP2D6 (0.52) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL13683443 0.82 KDM4E (0.54) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL13102586 0.81 POLB (0.53) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL13487187 0.80 MAOA (0.59) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3246920 0.80 MAOA (0.59) KDM4EMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7253798 0.80 L3MBTL1 (0.71) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL1953440 0.80 MEN1 (0.43) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL1953017 0.80 MEN1 (0.43) MEN1KMT2ATDP1KDM4EMAPT

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
EP-2417140-B1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
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 MEN1 4202/4885KMT2A 2746/4885TDP1 2220/4885

“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.