SCHEMBL2964888

SCHEMBL2964888

CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
SNCA P37840 3/20 0.47
ROCK2 O75116 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL2969396 0.91 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2965308 0.87 MAPT (0.55) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14454256 0.84 MEN1 (0.47) L3MBTL1CYP1A2CYP2C9CYP2C19NR1H2
SCHEMBL2957636 0.83 LMNA (0.56) L3MBTL1NR1H2NR1H3ROCK2MAPT
SCHEMBL2962039 0.81 USP2 (0.63) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2961566 0.80 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2969271 0.79 CYP1A2 (0.58) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2960598 0.79 L3MBTL1 (0.61) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14454255 0.78 NPC1 (0.46) L3MBTL1CYP1A2CYP3A4ROCK2GAA
SCHEMBL14336245 0.78 ALDH1A1 (0.64) L3MBTL1NR1H2NR1H3SNCAMAPT

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 L3MBTL1 2884/4885CYP1A2 877/4885CYP3A4 273/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 L3MBTL1 2884/4885CYP1A2 877/4885CYP3A4 273/4885

“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.