SCHEMBL20477326

SCHEMBL20477326

COC(=O)c1c[nH]c(Cc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.53
ALDH1A1 P00352 4/20 0.44
MMP2 P08253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL15948066 0.88 SMN1; SMN2 (0.43) RNASEH1ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL949159 0.87 MMP2 (0.56) RNASEH1ALDH1A1MMP2MEN1GAA
SCHEMBL15662204 0.86 RNASEH1 (0.40) RNASEH1ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL23586154 0.83 RNASEH1 (0.41) RNASEH1ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL948656 0.83 HCAR2 (0.49) RNASEH1SMN1; SMN2TSHRTDP1GAA
SCHEMBL16669003 0.81 MEN1 (0.43) RNASEH1SMN1; SMN2MAPTMEN1POLB
SCHEMBL11226550 0.79 ACHE (0.49) ALDH1A1SMN1; SMN2MAPTTSHRNPSR1
SCHEMBL19780485 0.78 MAPK1 (0.40) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL7425208 0.78 MAPK1 (0.40) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL27884838 0.75 NPSR1 (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP3A4

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
CN-115667223-A Imidazolium reagents for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-108431004-B Heterocyclic compounds 武田药品工业株式会社 2021-02-12 CN disclosed
US-10787462-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-29 US disclosed
EP-3366684-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180319819-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-08 US disclosed
EP-3366684-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 EP 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 (2 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-10787462-B2 Heterocyclic compound RIPK1, RIPK4, RIPK3 RNASEH1 1143/4885ALDH1A1 2773/4885MMP2 4416/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 RNASEH1 1143/4885ALDH1A1 2773/4885MMP2 4416/4885

“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.