SCHEMBL933685

SCHEMBL933685

CCOC(OCC)c1ccccc1C(=O)c1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GSTA1 P08263 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 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
SCHEMBL29898841 1.00 DGAT1 (0.43) DGAT1LMNAKMT2AMEN1MAPT
SCHEMBL6711516 0.88 MAPK14 (0.43) ALDH1A1
SCHEMBL6710179 0.86 ALDH1A1 (0.44) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6712769 0.86 MEN1 (0.38) LMNAKMT2AMEN1MAPTTP53
SCHEMBL26982329 0.84 PDE2A (0.42) HTTL3MBTL1GAASMN1; SMN2CYP1A2
SCHEMBL6712717 0.81 ALDH1A1 (0.40) LMNAKMT2AMEN1MAPTHTT
SCHEMBL14633329 0.81 F2R (0.36) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL6711346 0.81 MEN1 (0.44) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL26982063 0.80 CES2 (0.46) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29898823 0.79 GSTA1 (0.34) LMNAKMT2AMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US disclosed
US-8637551-B2 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-28 US disclosed
US-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2013-01-24 US disclosed
US-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2013-01-24 US disclosed
US-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2013-01-24 US disclosed
EP-2473489-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES MSD Oss B.V. (NL) 2012-07-11 EP disclosed
WO-2011003895-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2011-01-13 WO disclosed
WO-2011003895-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES N.V. ORGANON (NL) 2011-01-13 WO 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-20130023566-A1 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES CNR2, CNR1, OPRL1 DGAT1 4207/4885LMNA 2963/4885KMT2A 2511/4885
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 DGAT1 3647/4885LMNA 3044/4885KMT2A 3966/4885

“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.