SCHEMBL3604296

SCHEMBL3604296

O=[N+]([O-])c1c[c]ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
HPGD P15428 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SNCA P37840 2/20 0.35
CTSB P07858 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL11152901 0.85 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HPGDSNCA
SCHEMBL7290800 0.85 ALDH1A1 (0.43) ALDH1A1TSHRCA12TDP1HPGD
SCHEMBL456636 0.83 PDK1 (0.41) ALDH1A1TSHRTDP1HPGDMEN1
SCHEMBL6205054 0.81 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HPGDGPR35
SCHEMBL16950649 0.80 MAPT (0.36) ALDH1A1TSHRTDP1HPGDMAPT
SCHEMBL8876153 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2MEN1KMT2APOLB
SCHEMBL28355811 0.78 ALOX15 (0.40) ALDH1A1TSHRTDP1HPGDCTSB
SCHEMBL11151232 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTDP1HPGDMEN1
SCHEMBL28277263 0.77 POLB (0.36) ALDH1A1TSHRCA12TDP1HPGD
SCHEMBL27420001 0.77 ALDH1A1 (0.40) ALDH1A1TDP1HPGDCYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP 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
EP-0094727-A2 Substituted heterocyclyl phenylformamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-11-23 EP 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-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 ALDH1A1 3628/4885TSHR 2921/4885CA12 4803/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 ALDH1A1 1869/4885TSHR 3783/4885CA12 4822/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 ALDH1A1 1869/4885TSHR 3783/4885CA12 4822/4885

“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.