SCHEMBL4990798

SCHEMBL4990798

COc1ccc(/C(C#N)=C/c2cc([N+](=O)[O-])ccc2F)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
TTR P02766 1/20 0.44
PDE4B Q07343 1/20 0.44
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL4990810 1.00 MAPT (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4995591 0.88 MAPT (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4995606 0.88 MAPT (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4996417 0.85 MAPT (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4996429 0.85 MAPT (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4998762 0.83 MAPT (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4998768 0.83 MAPT (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4998925 0.83 MEN1 (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4998921 0.83 MEN1 (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4996773 0.81 PDE4B (0.50) MAPTMEN1KMT2AHTTLMNA

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 MAPT 4708/4885MEN1 4712/4885KMT2A 3850/4885

“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.