SCHEMBL9969616

SCHEMBL9969616

CCNc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 5/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL14464188 0.87 POLB (0.49) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15546391 0.82 KAT2B (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30169708 0.81 HCAR3 (0.63) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5981763 0.81 HCAR3 (0.63) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5001388 0.81 MAPT (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11969282 0.81 KMT2A (0.65) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL26640672 0.80 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4978573 0.80 MAPT (0.56) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL8571676 0.80 MAPT (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2061274 0.80 MAPT (0.54) MAPTALDH1A1KMT2AMEN1SMN1; 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 11 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-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 MAPT 4552/4885ALDH1A1 2970/4885KMT2A 4556/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885KMT2A 4556/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAPT 4336/4885ALDH1A1 3986/4885KMT2A 4703/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885KMT2A 4556/4885

“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.