SCHEMBL17857804

SCHEMBL17857804

N#Cc1ccc(-c2ccc(OC(=O)Cc3ccc(-c4ccc(F)cc4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MMP2 P08253 5/20 0.47
ASAH1 Q13510 1/20 0.46
NSD2 O96028 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MMP3 P08254 5/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
F2 P00734 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CTBP2 P56545 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL4770316 0.83 KMT2A (0.78) KMT2AASAH1SMN1; SMN2CTBP2
SCHEMBL19798045 0.82 NSD2 (0.51) MMP2NSD2CYP11B1CYP11B2MMP3
SCHEMBL30648095 0.81 CYP2A6 (0.58) KMT2AF2MAOAMAOBPOLB
SCHEMBL18671087 0.81 MAOB (0.56) KMT2AMMP2ASAH1CYP11B1CYP11B2
SCHEMBL19599398 0.81 POLB (0.43) KMT2AMMP2ASAH1MMP3MMP1
SCHEMBL11787927 0.80 KMT2A (0.49) KMT2AF2POLBMAPTSMN1; SMN2
SCHEMBL15588653 0.79 MMP2 (0.57) KMT2AMMP2MMP3MMP1MMP9
SCHEMBL16922712 0.78 KDM1A (0.43) KMT2AMMP2NSD2MMP3MMP1
SCHEMBL19651377 0.78 KMT2A (0.57) KMT2AASAH1SMN1; SMN2
SCHEMBL17847696 0.77 KMT2A (0.57) KMT2AASAH1MAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180022996-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20170369784-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
WO-2016107664-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-07-07 WO disclosed
WO-2016096082-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-06-23 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-20170369784-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 KMT2A 3390/4885MMP2 1953/4885ASAH1 4725/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 KMT2A 3390/4885MMP2 1953/4885ASAH1 4725/4885

“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.