SCHEMBL14910296

SCHEMBL14910296

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
HTT P42858 3/20 0.38
ALOX15 P16050 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP2A6 P11509 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL14909657 0.85 HTT (0.40) MAPK1HTTALOX15CYP11B2CYP11B1
SCHEMBL14909477 0.81 MAPK1 (0.36) MAPK1HTTALOX15CYP11B2CYP11B1
SCHEMBL1025623 0.79 POLB (0.44) MAPK1HTTALOX15MEN1KMT2A
SCHEMBL67323 0.77 MTNR1A (0.44) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL14909476 0.77 BRD4 (0.50) MAPK1HTTCYP11B2CYP11B1ALDH1A1
SCHEMBL14908606 0.76 GABRG2 (0.49) CYP11B2CYP11B1ALDH1A1NPC1RAB9A
SCHEMBL26106998 0.72 KMO (0.64) HTTALOX15KMT2ANPC1RAB9A
SCHEMBL23582420 0.72 SLC22A12 (0.42) HTTALOX15CYP11B2CYP11B1SMN1; SMN2
SCHEMBL12576029 0.72 CYP2A6 (0.55) HTTALOX15CYP11B2CYP11B1MEN1
SCHEMBL14910069 0.70 MEN1 (0.43) HTTALOX15CYP11B2CYP11B1MEN1

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.