SCHEMBL7167346

SCHEMBL7167346

O=C(OCc1ccccc1)n1cnc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
P2RX4 Q99571 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MGLL Q99685 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL1907307 0.85 FAAH (0.53) FAAHKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL9880595 0.81 HTR2C (0.48) P2RX4KMT2AMEN1NPSR1P2RX1
SCHEMBL14946884 0.79 MCL1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14946975 0.78 MRGPRX4 (0.49)
SCHEMBL22784012 0.78 ALDH1A1 (0.44) P2RX4KMT2AMEN1NPSR1P2RX1
SCHEMBL20173266 0.78 HTR2C (0.45) P2RX4KMT2AMEN1NPSR1P2RX1
SCHEMBL14946891 0.78 FAAH (0.48) FAAHKMT2AMEN1NPSR1ALDH1A1
SCHEMBL16432932 0.77 MEN1 (0.48) KMT2AMEN1MCL1
SCHEMBL6554136 0.76 ALDH1A1 (0.42) P2RX4KMT2AMEN1NPSR1P2RX1
SCHEMBL21800292 0.76 MAPK14 (0.41) KMT2AMEN1NPSR1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540192-A 2002-11-26 JP claimed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP claimed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO claimed
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-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
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 US disclosed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO 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 FAAH 2833/4885P2RX4 570/4885KMT2A 598/4885

“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.