SCHEMBL4170371

SCHEMBL4170371

Cc1ccc(Oc2ccnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)c(C)n1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.71
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL4174543 0.84 TGFBR1 (0.82) TGFBR1
SCHEMBL4172692 0.83 TGFBR1 (0.63) TGFBR1
SCHEMBL29429424 0.83 TGFBR1 (1.00) TGFBR1CA12CA2CA9
SCHEMBL373618 0.83 TGFBR1 (1.00) TGFBR1CA12CA2CA9
SCHEMBL29657184 0.83 TGFBR1 (1.00) TGFBR1CA12CA2CA9
SCHEMBL4172942 0.82 TGFBR1 (0.79) TGFBR1
SCHEMBL4168353 0.81 TGFBR1 (0.77) TGFBR1
SCHEMBL4181489 0.81 TGFBR1 (0.58) TGFBR1MEN1KMT2AALDH1A1
SCHEMBL4180209 0.80 TGFBR1 (0.69) TGFBR1GAASMN1; SMN2
SCHEMBL3946083 0.79 TGFBR1 (0.73) TGFBR1ALDH1A1CA12CA2

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885MEN1 218/4885KMT2A 2976/4885

“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.