SCHEMBL628019

SCHEMBL628019

Nc1ccc(CN(Cc2ccc(N)cc2)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
GFER P55789 2/20 0.39
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CYP2C19 P33261 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
QPCT Q16769 1/20 0.35
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL4528899 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1MAPK1TSHR
SCHEMBL628354 0.81 MAOB (0.47) ALDH1A1CYP3A4TDP1MAPK1TSHR
SCHEMBL17562024 0.75 HTT (0.37) ALDH1A1MAPK1HTTCYP1A2INSR
SCHEMBL628700 0.75 CRHBP (0.48) ALDH1A1TSHRL3MBTL1CYP1A2LOXL2
SCHEMBL1498777 0.72 CYP2C19 (0.64) ALDH1A1CYP3A4TDP1MAPK1TSHR
SCHEMBL1981049 0.72 TSHR (0.55) ALDH1A1CYP3A4TDP1MAPK1TSHR
SCHEMBL13322100 0.70 CYP2C19 (0.47) ALDH1A1TDP1TSHRHTTCYP1A2
SCHEMBL24455918 0.69 TDP1 (0.57) ALDH1A1CYP3A4TDP1MAPK1TSHR
SCHEMBL15996915 0.68 PYCR1 (0.53) CYP1A2
SCHEMBL9701 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885TDP1 3922/4885

“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.