SCHEMBL4339549

SCHEMBL4339549

O=C(Cl)c1cc(-c2cccc(I)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
METAP2 P50579 1/20 0.40
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPC1 O15118 4/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
USP30 Q70CQ3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3045808 0.82 RAB9A (0.64) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL368446 0.77 CYP2C9 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL7221199 0.76 METAP2 (0.45) RAB9ASMN1; SMN2MAPTTHRBLMNA
SCHEMBL4134670 0.74 NOTUM (0.54) RAB9ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL27317631 0.74 NOTUM (0.46) RAB9ASMN1; SMN2MAPTLMNAKMT2A
SCHEMBL11509604 0.74 RAB9A (0.57) RAB9ASMN1; SMN2MAPTTHRBMEN1
SCHEMBL8878902 0.73 MAPT (0.49) RAB9ASMN1; SMN2MAPTTHRBLMNA
SCHEMBL17883944 0.73 MEN1 (0.56) RAB9ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL614637 0.71 RAB9A (0.58) RAB9ASMN1; SMN2MAPTTHRBLMNA
SCHEMBL3055067 0.70 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2MAPTLMNAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C RAB9A 2287/4885SMN1; SMN2 3115/4885MAPT 572/4885

“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.