SCHEMBL3607728

SCHEMBL3607728

CC(C)(C)C(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.48
ABL1 P00519 1/20 0.48
ALDH1A1 P00352 2/20 0.43
MASP2 O00187 1/20 0.43
MEN1 O00255 1/20 0.43
NUDT1 P36639 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 1/20 0.43
PLAU P00749 1/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HSP90AA1 P07900 1/20 0.36
ESR2 Q92731 1/20 0.36
F9 P00740 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL4149831 0.84 TDP1 (0.53) ALDH1A1MEN1KMT2ATDP1HSP90AA1
SCHEMBL725577 0.84 FABP6 (0.50) FABP6ABL1ALDH1A1MASP2MEN1
SCHEMBL11777992 0.82 GABRA1 (0.50) FABP6ABL1ALDH1A1MASP2MEN1
SCHEMBL12392414 0.82 CHEK2 (0.51) ALDH1A1MEN1KMT2ATDP1CHEK2
SCHEMBL22121440 0.82 FABP6 (0.51) FABP6ABL1ALDH1A1MASP2MEN1
SCHEMBL1870891 0.82 FABP6 (0.55) FABP6ABL1ALDH1A1MASP2MEN1
Hydrochloric Acid SCHEMBL4682527 0.81 FABP6 (0.54) FABP6ABL1ALDH1A1MASP2MEN1
SCHEMBL4403068 0.81 RAB9A (0.40) ABL1ALDH1A1MEN1KMT2AACACB
SCHEMBL12392417 0.81 LMNA (0.36) ALDH1A1MEN1KMT2ATDP1HSP90AA1
SCHEMBL1202574 0.80 KDM4E (0.50) FABP6ABL1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-7132438-B2 Benzimidazole derivatives AMGEN INC. (US) 2006-11-07 US disclosed
EP-1434579-A1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Tularik Inc. (US) 2004-07-07 EP disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 US disclosed
WO-2003030902-A1 IMIDAZOLE DERIVATES AS ANTI-INFLAMMATORY AGENTS TULARIK INC. (US) 2003-04-17 WO 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 (6 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY FABP6 3223/4885ABL1 3680/4885ALDH1A1 158/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY FABP6 3223/4885ABL1 3680/4885ALDH1A1 158/4885
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 FABP6 853/4885ABL1 1611/4885ALDH1A1 3628/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY FABP6 3223/4885ABL1 3680/4885ALDH1A1 158/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 FABP6 737/4885ABL1 848/4885ALDH1A1 1869/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 FABP6 737/4885ABL1 848/4885ALDH1A1 1869/4885

“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.