SCHEMBL728476

SCHEMBL728476

Cc1cc(Br)ccc1N(C=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 2/20 0.35
MYC P01106 1/20 0.34
NR4A1 P22736 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
C5AR1 P21730 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ERN1 O75460 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL20660751 0.77 ALDH1A1 (0.39) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL23615638 0.77 NPSR1 (0.38) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL27593276 0.76 PTGDR2 (0.34) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2191688 0.73 RAB9A (0.37) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL12913757 0.73 LMNA (0.35) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL1029127 0.71 KEAP1 (0.39) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL14635737 0.70 TRPM8 (0.52) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL2471508 0.69 CA1 (0.36) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL21396202 0.69 HRH4 (0.39) KMT2AMEN1MAPTCYP1A2CYP3A4
SCHEMBL25322220 0.68 MAPK1 (0.36) KMT2AMEN1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785169-B2 2011-10-05 JP claimed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP claimed
US-20050065033-A1 Method to inhibit ethylene responses in plants JACOBSON RICHARD MARTIN (US) 2005-03-24 US claimed
JP-2004532191-A 2004-10-21 JP claimed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP claimed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO claimed
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS JACOBSON RICHARD MARTIN 2011-08-04 US disclosed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
US-20050065033-A1 Method to inhibit ethylene responses in plants JACOBSON RICHARD MARTIN (US) 2005-03-24 US disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 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-20050065033-A1 Method to inhibit ethylene responses in plants ERN1, CTH, CBS KMT2A 3599/4885MEN1 3455/4885MAPT 4777/4885
US-20110190137-A1 METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ERN1, CTH, CBR3 KMT2A 3641/4885MEN1 3399/4885MAPT 4775/4885

“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.