SCHEMBL6286462

SCHEMBL6286462

O=C(OCCCC(=O)N1CCOCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ FKBP1A P62942 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PHGDH O43175 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GSTP1 P09211 1/20 0.44
▸ GSTM2 P28161 1/20 0.44

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
SCHEMBL23061496 0.84 HRH2 (0.51) CYP2C19CYP1A2POLBRAB9AKMT2A
SCHEMBL6021876 0.82 KMT2A (0.43) POLBRAB9AKMT2ATDP1AKR1C3
SCHEMBL17087197 0.81 ALDH1A1 (0.52) RAB9AKMT2ATDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7362832 0.81 ALDH1A1 (0.51) RAB9AKMT2ATDP1MAPTALDH1A1
SCHEMBL9551409 0.80 RAB9A (0.51) POLBRAB9AKMT2ATDP1AKR1C3
SCHEMBL763025 0.79 HTR2A (0.57) CYP3A4KMT2AGAAMAPTALDH1A1
SCHEMBL27672213 0.78 MAPT (0.48) CYP2C19CYP1A2CYP3A4CYP2C9POLB
SCHEMBL22959846 0.78 HTR2A (0.56) CYP3A4KMT2AGAAMAPTALDH1A1
SCHEMBL10062012 0.78 HTR2A (0.56) CYP3A4KMT2AGAAMAPTALDH1A1
SCHEMBL4994038 0.77 ALDH1A1 (0.67) CYP2C19KMT2ATDP1AKR1C3FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846925-B2 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-01-25 — — US disclosed
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED 2004-07-22 — — US disclosed
US-6720323-B2 N-((5S)-3,9,10,11-TETRAMETHOXY-6,7-DIHYDRO-5H-DIBENZO(A,C) CYCLOHEPTEN-5-YL)-2-(2-AMINOACETYLAMINO)ACETAMIDE; DESTROYS NEWLY FORMED VASCULATURE WHILE LEAVING UNAFFECTED NORMAL, MATURE VASCULATURE. ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-04-13 — — US disclosed
US-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2003-10-16 — — US disclosed
EP-1301498-A1 COLCHINOL DERIVATIVES AS ANGIOGENESIS INHIBITORS Angiogene Pharmaceuticals Limited (GB) 2003-04-16 — — EP disclosed
WO-2002008213-A1 COLCHINOL DERIVATIVES AS ANGIOGENESIS INHIBITORS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2002-01-31 — — 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 (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-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 CYP2C19 3540/4885USP2 2541/4885CYP1A2 2809/4885
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 CYP2C19 3582/4885USP2 2540/4885CYP1A2 2838/4885

“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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