SCHEMBL6489167

SCHEMBL6489167

CCCCCC(=O)Nc1cnc2cc(Cl)ccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
DEGS1 O15121 1/20 0.45
GSK3B P49841 8/20 0.44
EP300 Q09472 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL5766643 0.93 POLB (0.56) GLAMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL6499707 0.87 GAA (0.52) GLAMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL6500635 0.83 EP300 (0.57) GLAMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL6493124 0.79 KDR (0.53) L3MBTL1GAA
SCHEMBL5763717 0.78 NPC1 (0.49) MAPK1NPC1ALDH1A1KDM4EGAA
SCHEMBL5146626 0.78 GSK3B (0.49) MAPK1NPC1ALDH1A1KDM4EGAA
SCHEMBL6499469 0.77 GLA (0.48) GLAMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL5767044 0.76 NPC1 (0.50) NPC1ALDH1A1TSHRRAB9A
SCHEMBL5767729 0.75 GSK3B (0.52) NPC1ALDH1A1GSK3BCYP1A2CYP3A4
SCHEMBL31580824 0.75 MAPK1 (0.51) GLAMAPK1NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908932-B2 Cancer therapy ICONIX PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20030149074-A1 Modulators of phosphoinositide 3-kinase ENTELOS HOLDING CORP. 2003-08-07 US disclosed
WO-2003035618-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 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-20030149074-A1 Modulators of phosphoinositide 3-kinase PIK3R1, PIK3R3, PIK3R4 GLA 3551/4885MAPK1 109/4885NPC1 1397/4885

“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.