SCHEMBL5437204

SCHEMBL5437204

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.39
RORC P51449 1/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1B P28222 1/20 0.36
OPRM1 P35372 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 2/20 0.35
PARP1 P09874 5/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL5441968 0.85 MAPT (0.39) FEN1RORCMAPTPOLBCHRM2
SCHEMBL4958627 0.76 MEN1 (0.42) RORCMAPTPOLBBRD4PARP1
SCHEMBL13460967 0.71 ALDH1A1 (0.50) HSD17B10PARP1ALDH1A1KDM4EMEN1
SCHEMBL17453389 0.69 CHUK (0.41) MAPTHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL17453369 0.69 ACHE (0.46) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL4959129 0.68 CHEK1 (0.41) FEN1RORCMAPTPOLBHSD17B10
SCHEMBL5450544 0.67 POLB (0.36) FEN1RORCMAPTPOLBALDH1A1
SCHEMBL4958759 0.66 AURKA (0.46) MAPTPOLBKMT2ASPHK1
SCHEMBL4960733 0.66 EGFR (0.40) FEN1MAPTPOLBSPHK1
SCHEMBL28266273 0.64 RORC (0.63) RORCMAPTPOLBHSD17B10ALDH1A1

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-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 FEN1 1081/4885RORC 598/4885MAPT 2266/4885

“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.