SCHEMBL3056079

SCHEMBL3056079

CCOC(=O)Nc1ccc2cncc(CC)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
ELANE P08246 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.46
IKBKB O14920 1/20 0.46

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
SCHEMBL3063081 0.88 ALDH1A1 (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3066012 0.78 IMPDH2 (0.63) ROCK2
SCHEMBL3310873 0.75 KDM4E (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3055957 0.73 ELANE (0.49) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL24703392 0.73 POLB (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6270218 0.73 RAB9A (0.63) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7565510 0.73 RAB9A (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3066564 0.72 ELANE (0.54) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL29522898 0.72 ALDH1A1 (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL28490404 0.72 ALDH1A1 (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 11 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
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 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 (4 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 RAB9A 1119/4885NPC1 3249/4885CYP1A2 3959/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 RAB9A 1119/4885NPC1 3249/4885CYP1A2 3959/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 RAB9A 1483/4885NPC1 2415/4885CYP1A2 4021/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 RAB9A 2352/4885NPC1 1884/4885CYP1A2 417/4885

“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.