SCHEMBL9880607

SCHEMBL9880607

CCc1nc(C)cn1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTR2C P28335 1/20 0.42
P2RX4 Q99571 2/20 0.42
RAB9A P51151 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
MAPT P10636 2/20 0.40
STAT1 P42224 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 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
SCHEMBL3446814 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL9880608 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL12016608 0.78 MTNR1A (0.45) CYP19A1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9880601 0.78 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL3447437 0.76 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL9880606 0.74 PARP1 (0.50) ALDH1A1KMT2ATDP1SMN1; SMN2P2RX4
SCHEMBL9880597 0.71 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL21137731 0.71 ALDH1A1 (0.49) ALDH1A1MAPK1KMT2ATDP1SLC6A2
SCHEMBL23873975 0.71 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1KMT2ATDP1
SCHEMBL9880595 0.70 HTR2C (0.48) ALDH1A1TSHRMAPK1KMT2ATDP1

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 CYP19A1 2404/4885ALDH1A1 3913/4885TSHR 3985/4885

“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.