SCHEMBL2755833

SCHEMBL2755833

CNc1cc(C(F)(F)F)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MAPT P10636 5/20 0.48
APP P05067 1/20 0.47
KDM4E B2RXH2 7/20 0.47
LRRK2 Q5S007 2/20 0.46
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HTR6 P50406 1/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43

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
Hydrochloric Acid SCHEMBL29072709 0.98 DDB1 (0.48) DDB1CRBNMAPTAPPKDM4E
SCHEMBL24749800 0.84 L3MBTL1 (0.49) MAPTAPPKDM4ERAB9AL3MBTL1
SCHEMBL7563968 0.84 MAPT (0.50) DDB1CRBNMAPTKDM4ERAB9A
SCHEMBL2199851 0.84 DDB1 (0.48) DDB1CRBNMAPTKDM4ERAB9A
SCHEMBL25111104 0.83 HTT (0.50) DDB1CRBNMAPTAPPKDM4E
SCHEMBL20655718 0.82 DDB1 (0.47) DDB1CRBNMAPTKDM4ERAB9A
SCHEMBL31440788 0.80 KMT2A (0.61) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL5468286 0.80 MAPT (0.54) DDB1CRBNMAPTKDM4ECYP1A2
SCHEMBL5468285 0.80 DDB1 (0.48) DDB1CRBNMAPTKDM4ERAB9A
SCHEMBL20042462 0.80 KDM4E (0.48) DDB1CRBNMAPTKDM4ERAB9A

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
EP-3145925-B1 ANTHELMINTIC COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-11-04 EP disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (3 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-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 DDB1 4468/4885CRBN 1229/4885MAPT 671/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 DDB1 4468/4885CRBN 1229/4885MAPT 671/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A DDB1 3050/4885CRBN 2174/4885MAPT 1858/4885

“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.