SCHEMBL652037

SCHEMBL652037

CC(C)(C)N(C(=O)O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.44
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 5/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL652038 1.00 HCAR3 (0.44) HCAR3KDM4EGLAS100A4TRPV1
SCHEMBL16654154 0.84 HCAR3 (0.38) HCAR3KDM4EGLAS100A4TRPV1
SCHEMBL17556134 0.83 KIF18A (0.46) HCAR3MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL28799519 0.83 HCAR3 (0.44) HCAR3KDM4EGLAMEN1KMT2A
SCHEMBL17556135 0.83 KIF18A (0.46) HCAR3MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL1648161 0.80 PTGDR2 (0.36) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL248343 0.79 NPSR1 (0.44) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL248344 0.79 NPSR1 (0.44) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL26911664 0.78 MAPT (0.41) HCAR3MEN1KMT2AMAPK1MAPT
SCHEMBL2191688 0.77 RAB9A (0.37) KDM4EGLAMEN1KMT2AMAPT

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
CN-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 CN disclosed
US-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR ADVNET PHARMA CO. LTD. (CN) 2020-08-13 US disclosed
CN-111278823-A Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2020-06-12 CN disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 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-20110098268-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HCAR3 1169/4885KDM4E 399/4885GLA 2974/4885
US-20200253978-A1 HETEROCYCLICS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR FGFR1, FGFR4, FGFR2 HCAR3 622/4885KDM4E 703/4885GLA 1988/4885

“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.