SCHEMBL9969774

SCHEMBL9969774

O=C(Nc1cccc(F)c1)OCCBr

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 4/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 1/20 0.49
MGLL Q99685 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL19938054 0.85 HPGD (0.69) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL19941261 0.85 MEN1 (0.57) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL11744132 0.81 MAPK1 (0.66) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL2092275 0.81 MEN1 (0.60) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL9969391 0.81 MEN1 (0.53) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL3717399 0.81 MEN1 (0.53) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL11178086 0.80 NPC1 (0.65) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL697340 0.79 HPGD (0.58) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL14270128 0.79 MEN1 (0.50) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL1034658 0.78 MGLL (0.74) MEN1KMT2AHPGDRAB9ANPC1

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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (3 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MEN1 428/4885KMT2A 4556/4885HPGD 26/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MEN1 428/4885KMT2A 4556/4885HPGD 26/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MEN1 874/4885KMT2A 4703/4885HPGD 148/4885

“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.