Sugi Predict

Sugi Predict / Compounds / SCHEMBL863164

SCHEMBL863164

SCHEMBL863164

O=[N+]([O-])c1ccc2c(c1)COCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CA9 Q16790 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 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
SCHEMBL6739908 0.79 MAPT (0.46) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL141303 0.77 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL3213966 0.77 CA12 (0.51) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30448936 0.77 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL1633977 0.76 ADRA2A (0.46) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL29525659 0.76 ADRA2A (0.46) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL3346103 0.75 TDP2 (0.44) MAPTALDH1A1RAB9AMEN1KMT2A
Formaldehyde SCHEMBL27922643 0.74 MAPT (0.56) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL8698600 0.73 CLK1 (0.44) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6291697 0.71 PNMT (0.53) MAPTALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461867-A MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS UNIV BERLIN TECH 2019-11-15 — — CN disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 — — US disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 — — US disclosed
EP-2621885-B1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE PROCTER & GAMBLE (US) 2014-10-29 — — EP disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 — — US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 — — US disclosed
US-8759589-B2 Methods of synthesizing 2-Methoxymethyl-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2014-06-24 — — US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 — — US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 — — US disclosed
EP-2621885-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE The Procter and Gamble Company (US) 2013-08-07 — — EP disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 — — US disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 — — US disclosed
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-05-24 — — US disclosed
WO-2012044758-A1 METHODS OF SYNTHESIZING 2-METHOXYMETHYL-1,4-BENZENEDIAMINE THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 — — WO disclosed
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 — — US disclosed
US-4599347-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-07-08 — — US disclosed
US-4554280-A ANTISECRETORY AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-11-19 — — US disclosed
US-4435406-A 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1984-03-06 — — 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 (3 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-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine TYR, BTD, BRD4 MAPT 4602/4885ALDH1A1 837/4885RAB9A 4471/4885
US-20120130128-A1 Methods of Synthesizing 2-Methoxymethyl-1,4-Benzenediamine HNMT, PNMT, BHMT2 MAPT 4402/4885ALDH1A1 843/4885RAB9A 4141/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 MAPT 4602/4885ALDH1A1 837/4885RAB9A 4471/4885

“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.