SCHEMBL9880600

SCHEMBL9880600

O=C(OCc1ccccc1)n1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
PTGS2 P35354 4/20 0.50
HTR2C P28335 1/20 0.43
P2RX4 Q99571 2/20 0.43
FAAH O00519 2/20 0.42
KMT2A Q03164 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
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7163540 0.77 ASAH1 (0.58) LMNAHTR2CP2RX4KMT2AALDH1A1
SCHEMBL25933278 0.74 HTR2C (0.48) HTR2CP2RX4KMT2AMEN1NPSR1
SCHEMBL9880602 0.74 PARP1 (0.47) HTR2CP2RX4FAAHKMT2AMEN1
SCHEMBL7167349 0.73 CYP11B1 (0.48) LMNAHTR2CP2RX4KMT2AMEN1
SCHEMBL9880609 0.73 ESR1 (0.47) LMNAHTR2CP2RX4KMT2AMEN1
SCHEMBL19840109 0.71 KMT2A (0.50) LMNAKMT2ANPSR1ALDH1A1CYP1A2
SCHEMBL7167346 0.70 FAAH (0.48) LMNAHTR2CP2RX4FAAHKMT2A
SCHEMBL24576308 0.70 PARP1 (0.46) HTR2CP2RX4KMT2AMEN1NPSR1
SCHEMBL20173264 0.70 HTR2C (0.44) HTR2CP2RX4KMT2AMEN1NPSR1
SCHEMBL11424185 0.70 PTGS2 (0.54) LMNAPTGS2ALDH1A1CYP1A2CYP2C9

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 LMNA 1972/4885PTGS2 4006/4885HTR2C 2741/4885

“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.