SCHEMBL5450544

SCHEMBL5450544

O=S(=O)(Cc1c(Br)cc2c3ccccc3[nH]c2[n+]1[O-])c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PTGS2 P35354 6/20 0.34
FEN1 P39748 1/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HTR6 P50406 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5447476 0.71 POLB (0.43) POLBPTGS2RORCALDH1A1MAPT
SCHEMBL5441968 0.71 MAPT (0.39) POLBPTGS2FEN1RORCALDH1A1
SCHEMBL5441973 0.69 HTR6 (0.40) POLBPTGS2FEN1ALDH1A1MAPT
SCHEMBL5437204 0.67 FEN1 (0.39) POLBFEN1RORCALDH1A1KDM4E
SCHEMBL5440852 0.65 POLB (0.42) POLBALDH1A1KDM4EMAPTHTT
SCHEMBL5441969 0.62 EGFR (0.43) PTGS2FEN1ALDH1A1KDM4EMAPT
SCHEMBL5448780 0.62 CA5A (0.48) POLBRORCALDH1A1MAPTHTT
(Phenylsulfonyl)Benzene SCHEMBL17092887 0.61 ALDH1A1 (0.61) PTGS2FEN1ALDH1A1KDM4EHTT
Carbazole SCHEMBL28455411 0.59 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL10749372 0.59 CYP19A1 (0.58) POLBALDH1A1KDM4EMAPTKMT2A

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 POLB 323/4885PTGS2 2534/4885FEN1 1081/4885

“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.