SCHEMBL2969271

SCHEMBL2969271

Nc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PNLIP P16233 1/20 0.54
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
FFAR1 O14842 1/20 0.52
LOXL2 Q9Y4K0 3/20 0.50
LOX P28300 2/20 0.50

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
SCHEMBL2971919 0.90 MEN1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL11699565 0.83 MEN1 (0.56) CYP3A4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2969396 0.81 L3MBTL1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2960598 0.81 L3MBTL1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13601054 0.80 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2962039 0.80 USP2 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL27874895 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2964888 0.79 L3MBTL1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL7152809 0.79 FFAR1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1454287 0.77 DEGS1 (0.53) RAB9AMEN1KMT2APNLIP

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 CYP1A2 877/4885CYP3A4 273/4885CYP2C9 738/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885CYP3A4 273/4885CYP2C9 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.