SCHEMBL2013991

SCHEMBL2013991

COc1c(Cl)cccc1NC(=O)CC(=O)Nc1cccc(Cl)c1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
RAF1 P04049 1/20 0.52
POLB P06746 3/20 0.51
KDM4E B2RXH2 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7603112 0.92 KMT2A (0.54) KMT2AMEN1RAF1POLBKDM4E
SCHEMBL2088329 0.85 RAF1 (0.53) KMT2AMEN1RAF1KDM4ETAS1R3
SCHEMBL2093882 0.85 RAF1 (0.53) KMT2AMEN1RAF1POLBKDM4E
SCHEMBL2088326 0.85 RAF1 (0.53) KMT2AMEN1RAF1POLBKDM4E
SCHEMBL7495952 0.83 RAF1 (0.52) KMT2AMEN1RAF1POLBKDM4E
SCHEMBL2093879 0.82 RAF1 (0.51) KMT2AMEN1RAF1POLBKDM4E
SCHEMBL881514 0.80 RAF1 (0.49) KMT2AMEN1RAF1KDM4ETAS1R3
SCHEMBL13580638 0.79 ALDH1A1 (0.53) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL7133200 0.78 ALDH1A1 (0.55) KMT2AMEN1POLBKDM4ETAS1R3
SCHEMBL9311962 0.78 MEN1 (0.64) KMT2AMEN1POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964625-B2 Antibiotics comprising bis(1-aryl-5-tetrazoly1)methane derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2011-06-21 US disclosed
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 EP disclosed
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-11-13 US 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-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 KMT2A 2575/4885MEN1 1009/4885RAF1 2708/4885

“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.