SCHEMBL14909477

SCHEMBL14909477

CC(C)(C)CN(C(=O)O)c1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
HTT P42858 3/20 0.35
ALOX15 P16050 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
KMO O15229 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP2A6 P11509 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL14910296 0.81 MAPK1 (0.40) MAPK1HTTALOX15CYP11B2CYP11B1
SCHEMBL67116 0.79 MTNR1A (0.45) HTTSMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL14909476 0.74 BRD4 (0.50) MAPK1HTTCYP11B2CYP11B1SMN1; SMN2
SCHEMBL14908606 0.73 GABRG2 (0.49) CYP11B2CYP11B1SMN1; SMN2NPC1RAB9A
SCHEMBL23582420 0.72 SLC22A12 (0.42) HTTALOX15CYP11B2CYP11B1SMN1; SMN2
SCHEMBL16817994 0.71 CYP3A4 (0.39) HTTSMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL14909657 0.69 HTT (0.40) MAPK1HTTALOX15CYP11B2CYP11B1
SCHEMBL26106998 0.69 KMO (0.64) HTTALOX15KMOKMT2ANPC1
SCHEMBL12576029 0.69 CYP2A6 (0.55) HTTALOX15CYP11B2CYP11B1MEN1
SCHEMBL3670334 0.69 CASP3 (0.48) HTTALOX15CYP11B2CYP11B1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPK1 334/4885HTT 2347/4885ALOX15 1824/4885

“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.