SCHEMBL6080342

SCHEMBL6080342

Cc1ccc(C#N)c2nc(C(=O)O)c(Br)c(O)c12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.33
DHODH Q02127 1/20 0.33
CXCR2 P25025 2/20 0.32
CXCR1 P25024 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PIN1 Q13526 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PKMYT1 Q99640 2/20 0.30
ADRB3 P13945 1/20 0.30
TSPO P30536 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6079819 0.82 DHODH (0.36) DHODHALDH1A1KDM4EMAPTRAB9A
SCHEMBL6080476 0.80 DHODH (0.34) DHODHKDM4EMAPTRAB9ATDP1
SCHEMBL6080873 0.76 ADORA2A (0.36) CXCR2CXCR1PIN1KDM4E
SCHEMBL6080453 0.75 TSHR (0.40) ALDH1A1KDM4EMAPTTDP1
SCHEMBL6080823 0.73 NQO2 (0.40) DHODHKDM4EMAPTRAB9ATDP1
SCHEMBL6080525 0.71 PTGER1 (0.46) MAPTTDP1
SCHEMBL6079712 0.71 DHODH (0.47) DHODHALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6080122 0.68 SLC22A12 (0.37) CXCR2ALDH1A1PIN1KDM4EMAPT
SCHEMBL26094546 0.66 TSHR (0.40) CXCR2CXCR1ALDH1A1
SCHEMBL6080139 0.66 DHODH (0.36) F11DHODHALDH1A1PIN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL F11 3054/4885DHODH 188/4885CXCR2 1544/4885

“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.