Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472381

SCHEMBL4472381

SCHEMBL4472381

O=C(O)c1cc2c(cc1Cl)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FABP4 P15090 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ FABP3 P05413 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ GRIK1 P39086 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 2/20 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
SCHEMBL7370339 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL29921207 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL27390221 0.84 KMT2A (0.42) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL10997019 0.84 KMT2A (0.42) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL7018429 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL29590055 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL9887767 0.79 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL4771857 0.79 MAPK1 (0.40) ALDH1A1MAPK1SMN1; SMN2RAB9AKDM4E
SCHEMBL10914144 0.78 RAB9A (0.40) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL5391668 0.78 CTNNB1 (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4ETP53

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160716-B2 Compounds and methods of use thereof for treating tumors GEORGETOWN UNIVERSITY (US) 2018-12-25 — — US disclosed
US-20180148401-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2018-05-31 — — US disclosed
US-20180148401-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2018-05-31 — — US disclosed
US-20180148401-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2018-05-31 — — US disclosed
US-9695108-B2 Compounds and methods of use thereof for treating tumors GEORGETOWN UNIVERSITY (US) 2017-07-04 — — US disclosed
US-9695108-B2 Compounds and methods of use thereof for treating tumors GEORGETOWN UNIVERSITY (US) 2017-07-04 — — US disclosed
US-9695108-B2 Compounds and methods of use thereof for treating tumors GEORGETOWN UNIVERSITY (US) 2017-07-04 — — US disclosed
US-20150344440-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2015-12-03 — — US disclosed
US-20150344440-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2015-12-03 — — US disclosed
US-20150344440-A1 Compounds and Methods of Use Thereof for Treating Tumors GEORGETOWN UNIVERSITY 2015-12-03 — — US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 — — EP disclosed
CN-1671684-A New benzodioxoles HOFFMANN LA ROCHE (CH) 2005-09-21 — — CN disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 — — US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 — — US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 — — EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 — — US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 — — WO disclosed
EP-0134485-A2 5-Cyclopropyl-5,8-dihydro-8-oxo-1,3-dioxolo-(4,5-g) quinoline-7-carboxylic acid, process for its preparation and bactericidal agent containing it BAYER AG (DE) 1985-03-20 — — EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 — — 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 (5 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 ALDH1A1 607/4885MAPK1 1793/4885SMN1; SMN2 3267/4885
US-20150344440-A1 Compounds and Methods of Use Thereof for Treating Tumors VHL, TP53, RHOA ALDH1A1 541/4885MAPK1 3804/4885SMN1; SMN2 416/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 ALDH1A1 299/4885MAPK1 789/4885SMN1; SMN2 3008/4885
US-20180148401-A1 Compounds and Methods of Use Thereof for Treating Tumors VHL, TP53, RHOA ALDH1A1 541/4885MAPK1 3804/4885SMN1; SMN2 416/4885
US-10160716-B2 Compounds and methods of use thereof for treating tumors VHL, TP53, RHOA ALDH1A1 541/4885MAPK1 3804/4885SMN1; SMN2 416/4885

“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.