SCHEMBL3061972

SCHEMBL3061972

CCCCOC(=O)NCCN(C(=O)OCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
JAK2 O60674 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 1/20 0.45
ACHE P22303 7/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL3068694 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTTP53MEN1
SCHEMBL6780126 0.81 NPC1 (0.57) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL8393246 0.80 NPC1 (0.64) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL11430998 0.80 TSHR (0.50) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL9407493 0.79 SMN1; SMN2 (0.48) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL15271897 0.79 NPC1 (0.67) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL15269110 0.79 NPC1 (0.67) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL8393232 0.79 NPC1 (0.67) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL15269042 0.79 NPC1 (0.67) NPC1RAB9AJAK2PAX8SMN1; SMN2
SCHEMBL9711647 0.78 SMN1; SMN2 (0.58) NPC1RAB9AJAK2PAX8SMN1; SMN2

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-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP 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 (3 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 NPC1 3249/4885RAB9A 1119/4885JAK2 580/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 NPC1 3249/4885RAB9A 1119/4885JAK2 580/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 NPC1 2415/4885RAB9A 1483/4885JAK2 819/4885

“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.