SCHEMBL628354

SCHEMBL628354

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GFER P55789 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
PSMD14 O00487 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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 0.89 ALDH1A1 (0.56) MAOBALDH1A1GFERTDP1CYP3A4
SCHEMBL15996915 0.85 PYCR1 (0.53) MAOBESR1ESR2
SCHEMBL628019 0.81 ALDH1A1 (0.39) ALDH1A1GFERTDP1CYP3A4TSHR
SCHEMBL1981049 0.79 TSHR (0.55) MAOBALDH1A1GFERTDP1CYP3A4
SCHEMBL1498777 0.79 CYP2C19 (0.64) MAOBALDH1A1GFERTDP1CYP3A4
SCHEMBL628300 0.78 MAOA (0.43) MAOBCYP3A4RECQLLOXL2CYP2C19
SCHEMBL3153174 0.78 PYCR1 (0.56) MAOBALDH1A1GFERTDP1CYP3A4
SCHEMBL3334772 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1TAAR1
SCHEMBL24455918 0.76 TDP1 (0.57) MAOBALDH1A1GFERTDP1CYP3A4
SCHEMBL3364178 0.73 GFER (0.74) MAOBALDH1A1GFERTDP1CYP3A4

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 MAOB 3191/4885ESR1 3784/4885ESR2 2700/4885

“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.