SCHEMBL4276540

SCHEMBL4276540

O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)cc2ccncc21.O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)cc2ccncc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
HTR6 P50406 4/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NAMPT P43490 1/20 0.39
SRC P12931 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL4271243 0.96 RECQL (0.57) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL20417734 0.90 RECQL (0.68) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL4275790 0.87 RECQL (0.50) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL4266959 0.87 RECQL (0.50) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL4279643 0.85 RECQL (0.43) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL22122381 0.78 RECQL (0.50) RECQLALDH1A1LMNAMAPTNAMPT
SCHEMBL5833331 0.77 RECQL (0.43) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL21115189 0.77 HTR6 (0.44) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL5833077 0.76 PPARG (0.44) RECQLHTR6ALDH1A1LMNAMAPT
SCHEMBL6864332 0.76 RECQL (0.73) RECQLHTR6ALDH1A1LMNAMAPT

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-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 RECQL 1543/4885HTR6 1074/4885ALDH1A1 3508/4885

“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.