SCHEMBL3069746

SCHEMBL3069746

CC(CN)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 3/20 0.49
ACHE P22303 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
ACP3 P15309 1/20 0.48
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
Hydrochloric Acid SCHEMBL1646315 0.98 KMT2A (0.59) KMT2AMEN1L3MBTL1HPGDTSHR
Benzoic Acid SCHEMBL28522241 0.88 TP53 (0.56) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL18896279 0.85 KMT2A (0.58) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL21200551 0.83 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL2878386 0.83 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL11810361 0.83 KMT2A (0.57) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL20921363 0.82 KMT2A (0.56) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL21200076 0.81 MEN1 (0.56) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL21200078 0.81 MEN1 (0.56) KMT2AMEN1L3MBTL1HPGDTSHR
SCHEMBL4703596 0.81 TSHR (0.53) KMT2AMEN1L3MBTL1HPGDTSHR

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 12 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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP 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
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 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
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 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 KMT2A 2009/4885MEN1 2665/4885L3MBTL1 1674/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 KMT2A 2009/4885MEN1 2665/4885L3MBTL1 1674/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 KMT2A 2523/4885MEN1 3218/4885L3MBTL1 2060/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 KMT2A 1187/4885MEN1 3262/4885L3MBTL1 4140/4885

“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.