SCHEMBL9880608

SCHEMBL9880608

Cc1cn(C(=O)OCc2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2C P28335 1/20 0.43
P2RX4 Q99571 2/20 0.43
PARP1 P09874 1/20 0.43
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL9880606 0.90 PARP1 (0.50) ALDH1A1KMT2ATDP1P2RX4PARP1
SCHEMBL3446814 0.83 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL9880607 0.82 CYP19A1 (0.45) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL12016605 0.80 MTNR1A (0.45) ALDH1A1KMT2ATDP1RAB9ASMN1; SMN2
SCHEMBL9880609 0.76 ESR1 (0.47) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL21137731 0.72 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL9880597 0.72 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL23873975 0.72 ALDH1A1 (0.42) ALDH1A1KMT2ATDP1HTR2CP2RX4
SCHEMBL20181863 0.71 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL9880595 0.71 HTR2C (0.48) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

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 ALDH1A1 3913/4885KMT2A 598/4885TDP1 2147/4885

“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.