SCHEMBL2964216

SCHEMBL2964216

N#Cc1ccc(Oc2ccc(Cl)cc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
KDM4E B2RXH2 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP2D6 P10635 1/20 0.70
HPGD P15428 1/20 0.70
KMT2A Q03164 1/20 0.70
CYP3A4 P08684 1/20 0.63
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
MERTK Q12866 1/20 0.46

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
SCHEMBL32674568 0.84 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7140487 0.84 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL11649803 0.83 SLC6A4 (0.57) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7020181 0.83 AR (0.46) MAPTCYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL11515445 0.83 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2819246 0.81 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3131610 0.81 MERTK (0.46) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13343061 0.81 FFAR1 (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7019500 0.79 SCN9A (0.44) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL15094069 0.79 AR (0.66) MAPTCYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885CYP1A2 877/4885CYP2C9 738/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885CYP1A2 877/4885CYP2C9 738/4885

“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.