SCHEMBL9880602

SCHEMBL9880602

O=C(OCc1ccccc1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
P2RX4 Q99571 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL723691 0.81 PARP1 (0.54) PARP1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL10017800 0.78 EPHX1 (0.42) CYP2C19NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL11469003 0.76 L3MBTL1 (0.38) PARP1KMT2AMEN1P2RX4NPSR1
SCHEMBL9880600 0.74 LMNA (0.56) KMT2AMEN1P2RX4NPSR1P2RX1
SCHEMBL19864297 0.72 ALDH1A1 (0.55) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL4077619 0.72 CNR1 (0.53) KMT2AMEN1NPSR1ALDH1A1ADORA3
SCHEMBL23443667 0.72 PARP1 (0.42) PARP1KMT2AMEN1P2RX4NPSR1
SCHEMBL9880614 0.72 PARP1 (0.64) PARP1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL6346314 0.71 ALDH1A1 (0.56) KMT2AMEN1P2RX4NPSR1P2RX1
SCHEMBL9880608 0.71 ALDH1A1 (0.45) PARP1KMT2AMEN1P2RX4NPSR1

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 PARP1 316/4885KMT2A 598/4885MEN1 2427/4885

“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.