SCHEMBL9969412

SCHEMBL9969412

CC(C)(C)Cc1ccc(-c2csnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
NOTUM Q6P988 1/20 0.58
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
BRS3 P32247 1/20 0.51
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42

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
SCHEMBL9969469 0.83 KMT2A (0.54) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL179124 0.80 KMT2A (0.63) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL16788790 0.80 KMT2A (0.50) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL19900671 0.79 KMT2A (0.78) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL18213807 0.79 KMT2A (0.55) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL10161660 0.77 KMT2A (0.59) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL95792 0.77 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL219769 0.77 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL4573216 0.77 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL632993 0.77 KMT2A (0.58) KMT2APOLBNOTUMRAB9ANPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
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-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 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-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (9 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 KMT2A 1162/4885POLB 3173/4885NOTUM 512/4885
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 KMT2A 4556/4885POLB 1822/4885NOTUM 2701/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KMT2A 1162/4885POLB 3173/4885NOTUM 512/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 KMT2A 4556/4885POLB 1822/4885NOTUM 2701/4885
US-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 KMT2A 4080/4885POLB 2990/4885NOTUM 4616/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC KMT2A 4703/4885POLB 1225/4885NOTUM 1965/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 KMT2A 4556/4885POLB 1822/4885NOTUM 2701/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KMT2A 1162/4885POLB 3173/4885NOTUM 512/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 KMT2A 864/4885POLB 1832/4885NOTUM 330/4885

“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.