SCHEMBL2954855

SCHEMBL2954855

CCCc1ccc2c(Nc3cc(Cl)cc(Oc4ccc(NC(C)=O)cc4)c3)ccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.42
P2RX3 P56373 5/20 0.39
IKBKB O14920 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRAF P15056 1/20 0.36
HPGD P15428 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
SCHEMBL2960139 0.89 SREBF2 (0.42) SREBF2IKBKBSMN1; SMN2ALDH1A1POLB
SCHEMBL2968480 0.89 MAPT (0.41) SREBF2SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL2960109 0.79 MAPT (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2967892 0.76 MAOB (0.37) SREBF2POLBLMNA
SCHEMBL2964082 0.76 SREBF2 (0.44) SREBF2SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL2968878 0.73 IGF1R (0.47) IKBKBSMN1; SMN2ALDH1A1POLBPDGFRA
SCHEMBL2962152 0.72 MAPT (0.39) SMN1; SMN2ALDH1A1POLBLMNAHPGD
SCHEMBL2965361 0.71 SREBF2 (0.44) SREBF2SMN1; SMN2ALDH1A1POLBPDGFRA
SCHEMBL2961153 0.71 SREBF2 (0.44) SREBF2SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2968573 0.71 SYK (0.40) SREBF2SMN1; SMN2ALDH1A1POLBKDR

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 SREBF2 876/4885P2RX3 2893/4885IKBKB 550/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SREBF2 876/4885P2RX3 2893/4885IKBKB 550/4885

“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.