SCHEMBL2967362

SCHEMBL2967362

CC(C)c1ccc(Oc2ccc(Cl)cc2N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP2D6 P10635 1/20 0.72
HPGD P15428 1/20 0.72
KMT2A Q03164 1/20 0.72
CYP3A4 P08684 2/20 0.65
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
FFAR1 O14842 1/20 0.48
PDE7A Q13946 1/20 0.47
MAOA P21397 1/20 0.44

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
SCHEMBL811122 0.89 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7140487 0.86 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL32674568 0.86 MAPT (0.96) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21925217 0.85 MAPT (0.50) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL11515445 0.84 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11409091 0.83 MAPT (0.77) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL21620367 0.83 FFAR1 (0.65) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL359771 0.79 SMN1; SMN2 (0.77) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL307310 0.79 CYP1A2 (1.00) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11708266 0.78 L3MBTL1 (0.71) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2

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.