SCHEMBL1455435

SCHEMBL1455435

Nc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Sc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
SMO Q99835 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
TMPRSS4 Q9NRS4 5/20 0.42
P2RX1 P51575 4/20 0.42
P2RX4 Q99571 4/20 0.42
P2RX7 Q99572 4/20 0.42
PTGS1 P23219 2/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SLC2A1 P11166 1/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL1455071 0.85 PTGS1 (0.53) RXFP1PTGS1MEN1ALDH1A1KMT2A
SCHEMBL811386 0.81 PTGS1 (0.59) RXFP1P2RX1PTGS1MEN1KMT2A
SCHEMBL1456028 0.80 PTGS1 (0.56) RXFP1P2RX1PTGS1LMNAGAA
SCHEMBL1455344 0.79 NQO2 (0.50) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL1455121 0.78 MAPT (0.57) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL1455859 0.78 SNCA (0.50) AVPR2GPR27ALDH1A1LMNAMAPT
SCHEMBL1455648 0.76 MEN1 (0.52) MEN1KMT2ALMNAMAPTHTT
SCHEMBL1455186 0.76 MEN1 (0.57) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL1455484 0.76 ALDH1A1 (0.57) MEN1ALDH1A1KMT2ALMNAMAPT
SCHEMBL1454847 0.76 DEGS1 (0.49) JAK2JAK1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-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 (1 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AVPR2 3643/4885GPR27 4746/4885SMO 1597/4885

“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.