SCHEMBL4164891

SCHEMBL4164891

O=C(O)NCCC(=O)Nc1ccc(I)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
DEGS1 O15121 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL3408832 0.83 TSHR (0.68) RAB9ATSHRSMN1; SMN2NPC1L3MBTL1
SCHEMBL4160236 0.79 RAB9A (0.48) RAB9AKMT2ATSHRSMN1; SMN2NPC1
SCHEMBL3401213 0.77 TSHR (0.48) RAB9ATSHRSMN1; SMN2NPC1L3MBTL1
SCHEMBL26653746 0.76 HSD17B10 (0.54) RAB9ATSHRSMN1; SMN2NPC1L3MBTL1
SCHEMBL16230884 0.76 TSHR (0.46) RAB9AKMT2ATSHRSMN1; SMN2NPC1
SCHEMBL28514263 0.76 NPC1 (0.49) RAB9ASMN1; SMN2NPC1L3MBTL1MAPK1
SCHEMBL28512799 0.75 RAB9A (0.48) RAB9AKMT2ASMN1; SMN2NPC1L3MBTL1
SCHEMBL4166156 0.73 RAB9A (0.43) RAB9AKMT2ATSHRSMN1; SMN2NPC1
SCHEMBL18172092 0.73 CA12 (0.41) RAB9AKMT2ATSHRSMN1; SMN2DEGS1
SCHEMBL28510730 0.71 MAPK1 (0.51) RAB9ANPC1MAPK1

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-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 RAB9A 2815/4885KMT2A 3374/4885TSHR 3652/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 RAB9A 2629/4885KMT2A 3173/4885TSHR 3659/4885

“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.