SCHEMBL2990855

SCHEMBL2990855

CN(C)C=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2nccc(OC3CCCCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 3/20 0.33
BCHE P06276 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PTGDR Q13258 1/20 0.32
RECQL P46063 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
LMNA P02545 1/20 0.31
FFAR2 O15552 1/20 0.31
FAAH O00519 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
TNF P01375 1/20 0.31
SYK P43405 1/20 0.31
KAT6A Q92794 1/20 0.31

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
SCHEMBL2997418 0.86 LMNA (0.42) ALDH1A1SMN1; SMN2HTR6BCHEMEN1
SCHEMBL2996618 0.82 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2GAAMAPTHTR6
SCHEMBL2990853 0.81 PTGDR (0.37) ALDH1A1SMN1; SMN2HTR6MEN1KMT2A
SCHEMBL2240681 0.80 MAPT (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTR6
SCHEMBL2240673 0.80 MAPT (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTR6
SCHEMBL30093758 0.80 GAA (0.36) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL2994928 0.78 BRD4 (0.39) ALDH1A1GAAHTR6BCHEFFAR2
SCHEMBL2992544 0.76 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2GAAMAPTHTR6
SCHEMBL2303447 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTR6
SCHEMBL2303453 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTR6

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
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 ALDH1A1 1472/4885SMN1; SMN2 954/4885GAA 2723/4885

“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.