SCHEMBL5441968

SCHEMBL5441968

O=S(=O)(Cc1ccc2[nH]c3c(cc(Br)c[n+]3[O-])c2c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FEN1 P39748 1/20 0.38
PTGS2 P35354 2/20 0.36
RORC P51449 1/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1B P28222 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5437204 0.85 FEN1 (0.39) MAPTFEN1RORCCHRM2HTR1A
SCHEMBL4959129 0.77 CHEK1 (0.41) MAPTAPOBEC3GTDP1FEN1PTGS2
SCHEMBL4958627 0.72 MEN1 (0.42) MAPTRORCMEN1KMT2APOLB
SCHEMBL5450544 0.71 POLB (0.36) MAPTAPOBEC3GFEN1PTGS2RORC
SCHEMBL4960733 0.70 EGFR (0.40) MAPTAPOBEC3GTDP1FEN1POLB
SCHEMBL3668383 0.67 MAPT (0.61) MAPTMEN1KMT2AHSD17B10TSHR
SCHEMBL3084559 0.66 MMP2 (0.55) MAPTMEN1KMT2AHSD17B10TSHR
SCHEMBL14594615 0.66 PTGS2 (0.39) MAPTAPOBEC3GTDP1FEN1PTGS2
SCHEMBL14594993 0.65 SPHK1 (0.35) MAPTAPOBEC3GTDP1FEN1RORC
SCHEMBL4958759 0.65 AURKA (0.46) MAPTKMT2APOLBSPHK1

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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 MAPT 2266/4885APOBEC3G 3286/4885TDP1 188/4885

“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.