SCHEMBL4194345

SCHEMBL4194345

O=C1c2c(NCCN3CCOC3c3cccc(C(F)(F)F)c3)ccc(NCCN3CCOC3c3cccc(C(F)(F)F)c3)c2C(=O)c2c(NCCN3CCOC3c3cccc(C(F)(F)F)c3)ccc(NCCN3CCOC3c3cccc(C(F)(F)F)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
CHRM2 P08172 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
DRD2 P14416 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TACR1 P25103 3/20 0.35
CACNA1B Q00975 1/20 0.35
GRM2 Q14416 1/20 0.34
USP5 P45974 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11174951 0.94 CYP19A1 (0.38) HTR1ACHRM2DRD3HTR2BDRD2
SCHEMBL4198995 0.84 MEN1 (0.37) HTR1ACHRM2DRD3HTR2BMAPT
SCHEMBL4193611 0.80 SLC6A4 (0.38) DRD3DRD2LMNA
SCHEMBL4186617 0.79 ALDH1A1 (0.32) CHRM2DRD3HTR2BMOGAT2RAB9A
SCHEMBL11178298 0.78 CYP19A1 (0.44) CHRM2DRD3HTR2BMAPTRAB9A
SCHEMBL4200315 0.77 KDM4E (0.42) CHRM2DRD3HTR2BMAPTRAB9A
SCHEMBL4191462 0.77 NQO1 (0.38) HTR1ADRD3DRD2MAPTTHRB
SCHEMBL4189302 0.76 MEN1 (0.33)
SCHEMBL4199075 0.76 DRD2 (0.38) DRD3DRD2MAPTHDAC1HDAC8
SCHEMBL4190666 0.75 KMT2A (0.32) DRD3DRD2MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US claimed

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-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone CASP4, CASP8, CASP1 HTR1A 3625/4885CHRM2 4877/4885DRD3 4033/4885

“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.