SCHEMBL4998958

SCHEMBL4998958

COc1ccc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 10/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 3/20 0.56
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.50
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ACHE P22303 1/20 0.47

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
SCHEMBL4998964 1.00 HIF1A (0.69) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL4998762 0.87 MAPT (0.60) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL4998768 0.87 MAPT (0.60) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL12486396 0.83 CYP1A2 (0.64) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL12486398 0.83 CYP1A2 (0.64) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL12486820 0.82 CYP1A2 (1.00) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL12486817 0.82 CYP1A2 (1.00) HIF1ACYP1A2CYP3A4MAPTLMNA
SCHEMBL4998847 0.82 TUBB4A (0.57) HIF1ASMN1; SMN2RECQLEGFRPDGFRB
SCHEMBL4998844 0.82 TUBB4A (0.57) HIF1ASMN1; SMN2RECQLEGFRPDGFRB
SCHEMBL5001881 0.81 MAPT (0.66) HIF1AMAPTLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US claimed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US claimed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN claimed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP claimed
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 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 (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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 HIF1A 3686/4885CYP1A2 2849/4885CYP3A4 1629/4885

“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.