SCHEMBL6262103

SCHEMBL6262103

CCC(=O)Nc1ccc(C)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NR4A1 P22736 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50

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
SCHEMBL11028119 0.87 ALDH1A1 (0.69) POLBRAB9AALDH1A1GAACYP1A2
SCHEMBL22065282 0.86 POLB (0.56) POLBRAB9AALDH1A1MAPK1TSHR
SCHEMBL10659662 0.86 POLB (0.56) POLBCYP3A4RAB9AALDH1A1MAPK1
SCHEMBL11596592 0.84 ALDH1A1 (0.71) POLBRAB9AALDH1A1CYP1A2CYP2D6
SCHEMBL13662282 0.84 POLB (0.79) POLBCYP3A4RAB9AALDH1A1MAPK1
SCHEMBL9645123 0.83 CYP3A4 (0.56) POLBCYP3A4RAB9AALDH1A1NR4A1
SCHEMBL3800184 0.82 MAPT (0.54) POLBRAB9AALDH1A1GAAMAPT
SCHEMBL11320359 0.82 GNG2 (0.53) POLBRAB9AALDH1A1MAPK1MAPT
SCHEMBL2855474 0.82 TDP1 (0.52) POLBCYP3A4RAB9AALDH1A1GAA
SCHEMBL11691760 0.81 CYP3A4 (0.73) POLBCYP3A4RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540817-A Process for the preparation of 5-amino-2,4-dimethylacetanilide BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 — — US claimed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 — — EP claimed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 — — EP claimed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 — — US disclosed
WO-2005025498-A2 SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-03-24 — — WO disclosed
US-6399820-B2 PLACING A NUCLEOPHILE, WHOSE NUCLEOPHILIC ATOM IS ADVANTAGEOUSLY A NITROGEN, IN CONTACT WITH A SULPHONYL HALIDE AND AN ORGANIC BASE RHODIA CHIMIE (FR) 2002-06-04 — — US disclosed
US-20010020113-A1 Process and reagent useful for the synthesis of sulphanilide which is perhalogenated on the carbon borne by the sulphur atom of the sulphanilide function DESMURS JEAN-ROGER (FR) 2001-09-06 — — US disclosed
US-6271419-B1 Process and reagent useful for the synthesis of sulphanilide which is perhalogenated on the carbon borne by the sulphur atom of the sulphanilide function RHODIA CHIMIE (FR) 2001-08-07 — — US disclosed
EP-0338986-B1 PLANT GROWTH INHIBITING AGENT CIBA-GEIGY AG (CH) 1993-01-07 — — EP disclosed
EP-0338986-A2 Plant growth inhibiting agent CIBA-GEIGY AG (CH) 1989-10-25 — — EP disclosed
EP-0242850-A1 Water soluble monoazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 — — EP disclosed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 — — EP disclosed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 — — EP disclosed
US-4380464-A HERBICIDES AND PLANT GROWTH REGULATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-04-19 — — US disclosed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 — — EP disclosed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 — — EP disclosed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 — — EP disclosed
EP-0048551-A1 N,N-diacylaminoperfluoroalkanesulfonanilides and derivatives thereof MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-31 — — EP disclosed
US-4013444-A Inhibiting grass growth with 5-acetamido-2,4-dimethyltrifluoromethanesulfonanilide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-03-22 — — US disclosed
US-4007213-A Process for preparing 1-(N-β-cyanethylaminol-3-acylaminobenzenes HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-08 — — 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 (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-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN POLB 1436/4885CYP3A4 725/4885RAB9A 3439/4885

“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.

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