SCHEMBL740927

SCHEMBL740927

CCCSc1ncccc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.57
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 1/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
PARP1 P09874 1/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7502160 0.90 ALDH1A1 (0.49) HSD11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1328541 0.87 ALDH1A1 (0.51) HSD11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3093813 0.86 SMN1; SMN2 (0.70) HSD11B1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL14606834 0.86 HSD11B1 (0.59) HSD11B1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL30680404 0.86 SMN1; SMN2 (0.54) HSD11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10827952 0.86 SMN1; SMN2 (0.54) HSD11B1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL31544569 0.84 HSD11B1 (0.57) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14580275 0.84 HSD11B1 (0.57) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1327237 0.78 KMT2A (0.56) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15669005 0.77 SMN1; SMN2 (0.67) HSD11B1ALDH1A1SMN1; SMN2KDM4ENPC1

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
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HSD11B1 1658/4885ALDH1A1 2036/4885SMN1; SMN2 1477/4885

“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.