SCHEMBL5441973

SCHEMBL5441973

Cc1c(Br)cc2c3cc(S(=O)(=O)c4ccccc4)ccc3[nH]c2[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.40
FEN1 P39748 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
PKM P14618 1/20 0.36
PTGS2 P35354 3/20 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
SCHEMBL5441969 0.71 EGFR (0.43) HTR6FEN1MAPTALDH1A1PTGS2
SCHEMBL14136047 0.68 GAA (0.59) HTR6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL8471385 0.65 ALDH1A1 (0.64) HTR6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL6575496 0.64 HTR6 (0.56) HTR6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28834578 0.64 TTK (0.50) HTR6FEN1ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL6575484 0.63 HTR6 (0.54) HTR6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL7206333 0.63 HTR6 (0.58) HTR6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL6038429 0.63 HTR6 (0.67) HTR6MAPT
SCHEMBL1108964 0.62 TYMS (0.48) HTR6FEN1MAPTPOLBALDH1A1
SCHEMBL11686034 0.62 HTR6 (0.44) HTR6FEN1PTGS2

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 HTR6 2608/4885FEN1 1081/4885MAPT 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.