SCHEMBL10285193

SCHEMBL10285193

COC(=O)c1ccccc1SCCNC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
KDM1A O60341 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CRBN Q96SW2 1/20 0.42
CHRM1 P11229 1/20 0.42
RBP4 P02753 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM5 P08912 3/20 0.41
PARP1 P09874 1/20 0.41
CHRM3 P20309 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 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
SCHEMBL11999907 0.88 HSD17B10 (0.47) DRD2DRD4DRD3HSD17B10POLB
SCHEMBL14279417 0.83 KDM1A (0.44) DRD2DRD4DRD3KDM1ACHRM2
SCHEMBL2798533 0.80 HSD17B10 (0.50) HSD17B10POLBKMT2AMEN1CRBN
SCHEMBL2799697 0.75 DRD2 (0.44) DRD2DRD4DRD3KDM1ACHRM2
SCHEMBL2796995 0.71 DRD4 (0.60) DRD4KDM1A
SCHEMBL13264347 0.70 DRD2 (0.41) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL12000135 0.70 KCNH2 (0.44) DRD2HSD17B10POLBCRBNCHRM1
SCHEMBL4598775 0.69 HSD17B10 (0.63) HSD17B10POLBKMT2ACRBNNPC1
SCHEMBL10144072 0.69 HSD17B10 (0.67) HSD17B10POLBKMT2ACRBNGAA
SCHEMBL21505100 0.67 HSD17B10 (0.65) HSD17B10POLBKMT2ACRBNNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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 (2 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 DRD2 873/4885DRD4 866/4885DRD3 375/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 DRD2 2745/4885DRD4 2539/4885DRD3 2406/4885

“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.