Sugi Predict

Sugi Predict / Compounds / SCHEMBL7097859

SCHEMBL7097859

SCHEMBL7097859

CCOC(=O)COCC(C)(C(=O)N1CCCC1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 12/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ CCR8 P51685 1/20 0.38

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
SCHEMBL7097462 0.90 PKM (0.49) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7101468 0.86 PKM (0.55) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7097695 0.84 PKM (0.55) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7100941 0.84 PKM (0.54) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7412959 0.83 PKM (0.53) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7097861 0.82 LMNA (0.43) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL7103983 0.81 PKM (0.52) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7415203 0.80 PKM (0.47) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7097426 0.77 PKM (0.47) PKMSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7097430 0.74 ALOX15 (0.35) PKMSMN1; SMN2KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 — — US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 — — US disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 — — US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 — — US 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 (2 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-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 PKM 958/4885SMN1; SMN2 1577/4885KMT2A 2154/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 PKM 958/4885SMN1; SMN2 1577/4885KMT2A 2154/4885

“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.