SCHEMBL57513

SCHEMBL57513

CC(C)(C)N(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PTK2 Q05397 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
FPR2 P25090 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL1648161 0.85 PTGDR2 (0.36) ALDH1A1SMN1; SMN2L3MBTL1PTGDR2MAPT
SCHEMBL16506791 0.83 CES2 (0.40) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2191688 0.82 RAB9A (0.37) ALDH1A1RAB9ALMNAPTGDR2MAPT
SCHEMBL17601353 0.81 FSCN1 (0.39) SIRT2ALDH1A1LMNASMN1; SMN2SLC22A12
SCHEMBL16227073 0.81 RIPK1 (0.31) DGAT1
SCHEMBL19179760 0.79 HSD11B1 (0.39)
SCHEMBL5655847 0.78 PTGDR2 (0.38) ALDH1A1LMNASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL17420936 0.78 SIRT2 (0.48) DGAT1SIRT2ALDH1A1NPC1RAB9A
SCHEMBL5657840 0.78 PTGDR2 (0.42) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL17704139 0.77 POLB (0.33) AAK1

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
US-20200347302-A1 LIQUID CRYSTAL COMPOSITION CONTAINING A FIVE-MEMBERED HETEROCYCLIC RING, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2020-11-05 US disclosed
WO-2019147842-A1 LIQUID CRYSTAL COMPOSITION CONTAINING A FIVE-MEMBERED HETEROCYCLIC RING, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 WO disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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 (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-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 DGAT1 3610/4885SIRT2 536/4885ALDH1A1 3327/4885

“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.