SCHEMBL356754

SCHEMBL356754

CCC(C)Nc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CFTR P13569 1/20 0.41
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL116320 0.88 MAPT (0.39) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL7181975 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL356056 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL7353369 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL7449675 0.78 CFTR (0.46) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL8342023 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL10249395 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKDM4EGAA
SCHEMBL356011 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL356821 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL116464 0.76 MAPT (0.64) ALDH1A1L3MBTL1MAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
CN-102414195-B Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2014-11-12 CN disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
WO-2012057265-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057266-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057269-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057264-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057260-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057273-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057268-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
CN-102414195-A Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2012-04-11 CN disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885L3MBTL1 13/4885MAPT 4423/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 ALDH1A1 1409/4885L3MBTL1 13/4885MAPT 4423/4885

“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.