SCHEMBL4166156

SCHEMBL4166156

CC(C)(C)N(CCC(=O)Nc1ccc(I)cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
DEGS1 O15121 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38

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 0.77 TSHR (0.68) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL26653746 0.73 HSD17B10 (0.54) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL3401213 0.73 TSHR (0.48) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL4164891 0.73 RAB9A (0.50) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL17766837 0.73 TMEM97 (0.46) RAB9ASMN1; SMN2NPC1L3MBTL1MAPK1
SCHEMBL16230884 0.70 TSHR (0.46) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL1989892 0.70 KDR (0.47) RAB9ASMN1; SMN2NPC1L3MBTL1DEGS1
SCHEMBL5546850 0.70 HTT (0.41) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL4160236 0.70 RAB9A (0.48) RAB9ASMN1; SMN2NPC1TSHRL3MBTL1
SCHEMBL761089 0.68 PTK2 (0.62) RAB9ASMN1; SMN2NPC1L3MBTL1GAA

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-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 (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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 RAB9A 2815/4885SMN1; SMN2 2459/4885NPC1 2446/4885

“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.