SCHEMBL9969592

SCHEMBL9969592

CC(C)(C)N[C@H](CO)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRB2 P07550 2/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL12939892 1.00 LMNA (0.60) LMNATSHRMEN1KMT2AADRB2
SCHEMBL10282526 0.83 LMNA (0.65) LMNATSHRMEN1KMT2ANPC1
SCHEMBL10244258 0.81 LMNA (0.62) LMNATSHRMEN1KMT2ANPC1
SCHEMBL10245251 0.81 LMNA (0.62) LMNATSHRMEN1KMT2ANPC1
SCHEMBL16092959 0.79 LMNA (0.72) LMNATSHRMEN1KMT2ANPC1
SCHEMBL7465229 0.79 LMNA (0.63) LMNAMEN1KMT2ANPC1TP53
SCHEMBL6539801 0.79 LMNA (0.63) LMNAMEN1KMT2ANPC1TP53
SCHEMBL14532784 0.79 LMNA (0.63) LMNAMEN1KMT2ANPC1TP53
SCHEMBL14076514 0.78 LMNA (0.59) LMNATSHRMEN1KMT2ANPC1
SCHEMBL13014137 0.78 LMNA (0.59) LMNATSHRMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC LMNA 1265/4885TSHR 3269/4885MEN1 874/4885

“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.