SCHEMBL463775

SCHEMBL463775

O=CN1CCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 5/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
FDPS P14324 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 1/20 0.32
TP53 P04637 1/20 0.31
RAB9A P51151 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
SCHEMBL60399 1.00
SCHEMBL518261 1.00 HSD17B10 (0.52) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL2638 1.00
SCHEMBL1521924 1.00
SCHEMBL20055722 1.00 HSD17B10 (0.52) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL10546260 0.96 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL5881106 0.96 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
Ammonia Solution, Strong SCHEMBL6053445 0.96 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL16492 0.96 HSD17B10 (0.50) HSD17B10SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18507037 0.96 HSD17B10 (0.48) HSD17B10SMN1; SMN2TSHRKMT2ARAB9A

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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
CN-101160303-B 1- (2H) -isoquinolone derivatives CHUGAI PHARMACEUTICAL CO LTD 2011-09-28 CN disclosed
CN-101160303-A 1- (2H) -isoquinolone derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-04-09 CN 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 HSD17B10 139/4885SMN1; SMN2 4387/4885ALDH1A1 1457/4885

“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.