SCHEMBL9969608

SCHEMBL9969608

O=C(O)C1C2CN(c3ccc([N+](=O)[O-])cc3)CC21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
POLB P06746 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.47
SIRT6 Q8N6T7 2/20 0.47
ADRB1 P08588 1/20 0.47
AKR1C3 P42330 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL12939906 0.82 MAPT (0.50) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL9969597 0.82 MAPT (0.50) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL16788824 0.82 MAPT (0.50) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL6476736 0.79 MAPT (0.58) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL9969607 0.79 MAPT (0.70) MAPTPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL29393571 0.79 NOTUM (0.65) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL16092960 0.79 SIRT6 (0.56) MAPTPOLBALDH1A1SIRT6ADRB1
SCHEMBL3549925 0.78 MAPT (0.58) MAPTPOLBALDH1A1SIRT6ADRB1
SCHEMBL6710563 0.78 MAPT (0.58) MAPTPOLBALDH1A1SIRT6ADRB1
SCHEMBL27881 0.78 MAPT (0.70) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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 MAPT 4552/4885POLB 1822/4885CYP2C9 729/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885POLB 1822/4885CYP2C9 729/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAPT 4336/4885POLB 1225/4885CYP2C9 3012/4885

“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.