SCHEMBL900235

SCHEMBL900235

C=CCN(C(C)=O)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ESR1 P03372 1/20 0.32
TSPO P30536 1/20 0.31
GLA P06280 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7016068 0.85 TSHR (0.35) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL2537839 0.81 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2577552 0.80 TSHR (0.54) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL7535141 0.78 ALDH1A1 (0.38) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9514799 0.76 DHFR (0.33)
SCHEMBL3249889 0.75 CHKA (0.36) ESR1
SCHEMBL27539918 0.73 CRHBP (0.40) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL2037036 0.73 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2AGLA
SCHEMBL10326109 0.72 TSHR (0.46) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL11794334 0.72 ESR1 (0.31) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454260-B1 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES RANDOX LAB LTD (GB) 2016-11-16 EP disclosed
US-8852953-B2 Immunodetection and quantification of pyrazolopyrimidine sedatives RANDOX LABORATORIES LTD. (GB) 2014-10-07 US disclosed
US-20120208294-A1 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES RANDOX LABORATORIES LTD. (GB) 2012-08-16 US disclosed
EP-2454260-A1 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES Randox Laboratories Ltd. (GB) 2012-05-23 EP disclosed
WO-2011007180-A9 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES RANDOX LABORATORIES LTD (GB) 2012-04-05 WO disclosed
WO-2011007180-A1 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES RANDOX LABORATORIES LTD (GB) 2011-01-20 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-20120208294-A1 IMMUNODETECTION AND QUANTIFICATION OF PYRAZOLOPYRIMIDINE SEDATIVES GABRA6, GABRP, GABRA5 TSHR 1446/4885ALDH1A1 84/4885MEN1 4448/4885

“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.