SCHEMBL628300

SCHEMBL628300

Nc1cccc(CN(Cc2cccc(N)c2)c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CYP19A1 P11511 1/20 0.42
CYP2C19 P33261 1/20 0.41
GRIA2 P42262 1/20 0.39
PTPN1 P18031 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
S1PR1 P21453 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL13150290 0.85 ALDH1A1 (0.51) MAOAMAOBCYP19A1CYP2C19
SCHEMBL17463837 0.82 MAOB (0.55) MAOAMAOBCYP19A1CYP2C19PTPN1
SCHEMBL628354 0.78 MAOB (0.47) MAOBCYP2C19CNR1CNR2CYP3A4
SCHEMBL7207372 0.77 CRHBP (0.54) MAOAMAOBCYP2C19PTPN1NR1H2
SCHEMBL29892730 0.77 CRHBP (0.54) MAOAMAOBCYP2C19PTPN1NR1H2
SCHEMBL20495035 0.74 CYP19A1 (0.74) MAOAMAOBCYP19A1CYP3A4CASP1
SCHEMBL3731833 0.73 CYP1A2 (0.52) MAOAMAOBCYP19A1CYP2C19
SCHEMBL11127464 0.71 CYP19A1 (0.63) MAOAMAOBCYP19A1CYP2C19CYP3A4
SCHEMBL628027 0.70 GAA (0.54) PTPN1CYP3A4
SCHEMBL1498777 0.70 CYP2C19 (0.64) MAOAMAOBCYP2C19NR1H2NR1H3

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 MAOA 3731/4885MAOB 3191/4885CYP19A1 4426/4885

“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.