SCHEMBL535458

SCHEMBL535458

C[CH]Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NFE2L2 Q16236 1/20 0.42
MAPT P10636 1/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL195032 0.81 L3MBTL1 (0.50) L3MBTL1MAOBAOC3TSHRMAPK1
SCHEMBL30213947 0.81 L3MBTL1 (0.50) L3MBTL1MAOBAOC3TSHRMAPK1
SCHEMBL9797305 0.78 MAOB (0.43) L3MBTL1MAOBAOC3TSHRMAPK1
SCHEMBL29782607 0.78 L3MBTL1 (0.58) L3MBTL1MAOBTSHRMAPK1ALDH1A1
SCHEMBL167016 0.78 L3MBTL1 (0.58) L3MBTL1MAOBTSHRMAPK1ALDH1A1
SCHEMBL9798371 0.77 LTA4H (0.54) L3MBTL1MAOBAOC3TSHRMAPK1
SCHEMBL17117545 0.77 L3MBTL1 (0.43) L3MBTL1MAOBAOC3TSHRMAPK1
SCHEMBL27295380 0.76 MAPT (0.57) L3MBTL1TSHRMAPK1ALDH1A1POLB
SCHEMBL535428 0.75 CA1 (0.44) MAOBAOC3TSHRALDH1A1
SCHEMBL2737127 0.74 L3MBTL1 (0.47) L3MBTL1MAOBAOC3TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189641-A1 Novel 6-phenlyphenanthridines NYCOMED GMBH (DE) 2006-08-24 US claimed
EP-1658271-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP claimed
WO-2005012253-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO claimed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US claimed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2144898-B1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2012-02-08 EP disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20060189641-A1 Novel 6-phenlyphenanthridines NYCOMED GMBH (DE) 2006-08-24 US disclosed
EP-1658271-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA Pharma AG (DE) 2006-05-24 EP disclosed
WO-2005012253-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-10 WO disclosed
US-5120849-A Reacting cyclic imidoether with aminoalcohol BASF AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
EP-0244786-B1 PROCESS FOR PREPARING 0-SUBSTITUTED HYDROXYLAMINES BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0244786-A1 Process for preparing 0-substituted hydroxylamines BASF Aktiengesellschaft (DE) 1987-11-11 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 (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-20060189641-A1 Novel 6-phenlyphenanthridines PDE4A, PDE4B, PDE4C L3MBTL1 3259/4885MAOB 516/4885AOC3 3250/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 L3MBTL1 3467/4885MAOB 393/4885AOC3 625/4885

“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.