Sugi Predict

Sugi Predict / Compounds / SCHEMBL3040101

SCHEMBL3040101

SCHEMBL3040101

O=C(O)c1cc([N+](=O)[O-])ccc1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ MEN1 O00255 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ HPGD P15428 1/20 0.75
▸ LMNA P02545 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ HTT P42858 3/20 0.71
▸ POLB P06746 1/20 0.71
▸ PAX8 Q06710 3/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ GAA P10253 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ NPC1 O15118 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL6255487 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL29805486 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10502203 0.98 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23982204 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL27455146 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL25212044 0.87 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18113433 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL11102710 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10847501 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1811947 0.86 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 — — US claimed
EP-1047379-B1 COMPOSITION FOR THE OXIDATIVE DYEING OF KERATINIC FIBERS COMPRISING A LACCASE AND DEYING PROCESS USING SUCH A COMPOSITION OREAL (FR) 2001-10-10 — — EP claimed
EP-0170069-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1989-10-11 — — EP claimed
EP-0170069-A1 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1986-02-05 — — EP claimed
CN-109678815-B N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof 中国药科大学 2022-11-29 — — CN disclosed
CN-109678815-A N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications 中国药科大学 2019-04-26 — — CN disclosed
CN-104211635-A Piperidine compounds, and preparation method, pharmaceutical compositions and use thereof SHANGHAI INST MATERIA MEDICA 2014-12-17 — — CN disclosed
US-7799092-B2 Composition for simultaneously bleaching and dyeing keratin fibers, comprising at least one anionic or nonionic direct dye and at least one associative polymer L'OREAL S.A. (FR) 2010-09-21 — — US disclosed
US-7736395-B2 direct dyes L'OREAL S.A. (FR) 2010-06-15 — — US disclosed
US-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration L'OREAL S.A. (FR) 2007-02-15 — — US disclosed
US-20070033743-A1 direct dyes L'OREAL S.A. (FR) 2007-02-15 — — US disclosed
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 — — US disclosed
EP-0170069-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1989-10-11 — — EP disclosed
US-4619666-A Hair dyes containing amino-nitrobenzoic acid or amino-nitrobenzene sulfonic acids as substantive dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-10-28 — — US disclosed
EP-0170069-A1 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1986-02-05 — — EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
US-4066457-A P-PHENYLENEDIAMINE DERIVATIVES GAF CORPORATION (US) 1978-01-03 — — 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-20070033744-A1 Anhydrous composition; nonionic or anionic direct dye, associative polymer, peroxygenated salt, and alkaline agent; hair dyes suitable for dark hair; easy to use and can produce chromatic and fast coloration KRT18, BRD7, KAT7 ALDH1A1 930/4885SMN1; SMN2 4339/4885MEN1 4300/4885
US-20070033743-A1 direct dyes KRT18, DSG1, DSP ALDH1A1 385/4885SMN1; SMN2 1994/4885MEN1 4515/4885

“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.