Sugi Predict

Sugi Predict / Compounds / SCHEMBL6168841

SCHEMBL6168841

SCHEMBL6168841

CCCCS(=O)(=O)NC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ HCAR3 P49019 6/20 0.49
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ CRHBP P24387 2/20 0.45
▸ CRHR2 Q13324 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH3A1 P30838 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
SCHEMBL6172349 0.91 KMT2A (0.46) KMT2AHCAR3MAPTLMNAMAPK1
SCHEMBL6183184 0.88 KMT2A (0.45) KMT2AHCAR3MAPTLMNAMAPK1
SCHEMBL6168579 0.81 ERAP2 (0.47) MAPTNPC1ALDH1A1KDM4EHTT
SCHEMBL6171135 0.81 MAPK1 (0.46) KMT2AHCAR3MAPTLMNAMAPK1
SCHEMBL6169323 0.77 POLB (0.56) KMT2AHCAR3MAPTLMNAMAPK1
SCHEMBL6182016 0.77 MAPK1 (0.45) KMT2AHCAR3MAPTLMNAMAPK1
SCHEMBL3616520 0.76 KMT2A (0.70) KMT2AHCAR3MAPTLMNANPSR1
SCHEMBL2643864 0.75 KMT2A (0.68) KMT2AHCAR3MAPTNPSR1POLB
SCHEMBL29793669 0.75 KMT2A (0.68) KMT2AHCAR3MAPTNPSR1POLB
SCHEMBL3613079 0.74 HCAR3 (0.72) KMT2AHCAR3MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 — — EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 — — US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — 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 (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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KMT2A 1590/4885HCAR3 3869/4885MAPT 4390/4885

“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.