SCHEMBL4998908

SCHEMBL4998908

COc1ccc(/C(C#N)=C/c2cccc(F)c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
EGFR P00533 1/20 0.55
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
PTGS1 P23219 1/20 0.55
NFE2L2 Q16236 1/20 0.55
TUBB4A P04350 4/20 0.52
TUBB P07437 4/20 0.52
TUBA3C P0DPH7 4/20 0.52
TUBA1B P68363 4/20 0.52
TUBA4A P68366 4/20 0.52
TUBB4B P68371 4/20 0.52
TUBB3 Q13509 4/20 0.52
TUBB2A Q13885 4/20 0.52
TUBB8 Q3ZCM7 4/20 0.52
TUBA3E Q6PEY2 4/20 0.52
TUBA1A Q71U36 4/20 0.52
TUBA1C Q9BQE3 4/20 0.52

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
SCHEMBL4998911 1.00 RECQL (0.55) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4998862 0.88 TUBB4A (0.57) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4998867 0.88 TUBB4A (0.57) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4998847 0.87 TUBB4A (0.57) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4998844 0.87 TUBB4A (0.57) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4821934 0.86 PDE4A (0.59) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4821938 0.86 PDE4A (0.59) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL8397001 0.86 HIF1A (0.56) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL8397000 0.86 HIF1A (0.56) RECQLSMN1; SMN2HIF1AEGFRPDGFRB
SCHEMBL4998785 0.85 PTPN7 (0.59) RECQLSMN1; SMN2HIF1AEGFRPDGFRB

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 4 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 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 RECQL 3707/4885SMN1; SMN2 4710/4885HIF1A 3686/4885

“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.