SCHEMBL9969615

SCHEMBL9969615

NC(=S)Cc1ccc(-n2ccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.50
CYP19A1 P11511 1/20 0.44
BRS3 P32247 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
USP1 O94782 2/20 0.33
WDR48 Q8TAF3 2/20 0.33
USP7 Q93009 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
SCHEMBL9969614 0.84 NOTUM (0.54) NOTUMCYP19A1BRS3MAPK9MAPK10
SCHEMBL4333690 0.79 NOTUM (0.45) NOTUMCYP19A1BRS3KEAP1MAPK9
SCHEMBL2658779 0.79 QPCT (0.56) NOTUMCYP19A1
SCHEMBL533418 0.78 NOTUM (0.58) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL4921031 0.78 NOTUM (0.58) NOTUMCYP19A1BRS3KEAP1
SCHEMBL10447781 0.76 NOTUM (0.78) NOTUMCYP19A1BRS3KEAP1
Hydrochloric Acid SCHEMBL6005235 0.76 NOTUM (0.56) NOTUMCYP19A1BRS3KEAP1
SCHEMBL6877497 0.75 NOTUM (0.60) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL16093330 0.75 NOTUM (0.55) NOTUMCYP19A1BRS3KEAP1
SCHEMBL29378377 0.75 NOTUM (0.55) NOTUMCYP19A1BRS3KEAP1USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (4 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 NOTUM 2701/4885CYP19A1 1310/4885BRS3 1622/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 NOTUM 2701/4885CYP19A1 1310/4885BRS3 1622/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC NOTUM 1965/4885CYP19A1 3145/4885BRS3 2368/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 NOTUM 2701/4885CYP19A1 1310/4885BRS3 1622/4885

“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.