SCHEMBL798563

SCHEMBL798563

CC(C)(C)N(C(=O)O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.45
HIF1A Q16665 1/20 0.45
VCAM1 P19320 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
PTGS2 P35354 1/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL798562 1.00 LMNA (0.47) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3512293 0.84 TSHR (0.53) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3512292 0.84 TSHR (0.53) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27228442 0.83 ALDH1A1 (0.44) LMNAMEN1KMT2AMAPTHTT
SCHEMBL20718829 0.83 LMNA (0.51) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL585128 0.81 ALDH1A1 (0.49) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL585127 0.81 ALDH1A1 (0.49) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28573395 0.80 ITGB1 (0.38) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL688212 0.80 CES2 (0.38) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15300266 0.77 CASP6 (0.36) LMNAMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014024119-A1 HETEROCYCLIC AMIDES AS ITK INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-02-13 WO disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (2 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 LMNA 4482/4885MEN1 627/4885KMT2A 974/4885
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 LMNA 4535/4885MEN1 1818/4885KMT2A 1679/4885

“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.