SCHEMBL3071789

SCHEMBL3071789

COC=CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6771987 0.84 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL7053965 0.83 ALDH1A1 (0.53) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL7528501 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL1805977 0.79 RAB9A (0.64) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL1805971 0.79 RAB9A (0.64) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL8060690 0.79 ALDH1A1 (0.42) ALDH1A1TSHRHPGDTDP1L3MBTL1
SCHEMBL10369182 0.78 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL6158455 0.78 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1MAPT
SCHEMBL3335582 0.78 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1MAPT
SCHEMBL28940904 0.78 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1HTT

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 9 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
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
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 ALDH1A1 1256/4885TSHR 611/4885HPGD 4076/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885TSHR 611/4885HPGD 4076/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALDH1A1 1266/4885TSHR 1312/4885HPGD 4084/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ALDH1A1 1018/4885TSHR 1543/4885HPGD 2152/4885

“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.