SCHEMBL9880604

SCHEMBL9880604

COc1ccc(COC(=O)n2c(C)nc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
PARP1 P09874 1/20 0.53
CNR2 P34972 7/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CNR1 P21554 1/20 0.49
P2RX4 Q99571 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSPO P30536 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL724677 0.89 ASAH1 (0.54) GSK3BPARP1KMT2AALDH1A1LMNA
SCHEMBL9880614 0.87 PARP1 (0.64) GSK3BPARP1CNR2KMT2AMEN1
SCHEMBL9880612 0.84 DCTPP1 (0.57) GSK3BPARP1KMT2AMEN1P2RX4
SCHEMBL9880603 0.81 KMT2A (0.63) GSK3BPARP1KMT2AMEN1P2RX4
SCHEMBL10017801 0.80 CNR2 (0.69) PARP1CNR2KMT2AMEN1CNR1
SCHEMBL29145178 0.77 L3MBTL1 (0.66) CNR2KMT2AALDH1A1KDM4ELMNA
SCHEMBL23613732 0.77 P2RX3 (0.43) PARP1KMT2AMEN1P2RX4ALDH1A1
SCHEMBL7163776 0.76 P2RX4 (0.52) GSK3BPARP1KMT2AMEN1P2RX4
SCHEMBL9880613 0.75 HTR2C (0.43) GSK3BPARP1KMT2AMEN1P2RX4
SCHEMBL24514645 0.75 PARP1 (0.41) GSK3BPARP1KMT2AMEN1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 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-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC GSK3B 4566/4885PARP1 316/4885CNR2 1533/4885

“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.