SCHEMBL1109178

SCHEMBL1109178

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
ALOX12 P18054 1/20 0.54
ALOX15 P16050 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
DRD4 P21917 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL403077 0.92 REV1 (0.53) REV1LMNAMAPTHTTMEN1
SCHEMBL1109346 0.91 TSHR (0.57) REV1LMNAMAPTHTTMEN1
SCHEMBL10287218 0.86 ALDH1A1 (0.56) REV1LMNAMAPTHTTMEN1
SCHEMBL1109284 0.86 LMNA (0.47) LMNAMEN1KMT2AGAA
SCHEMBL1109453 0.86 NPC1 (0.54) LMNAHTTMEN1KMT2ATDP1
SCHEMBL1109217 0.85 ATM (0.50) LMNAALOX15
SCHEMBL1109357 0.85 NPC1 (0.53) MAPTHTTMEN1KMT2ATDP1
SCHEMBL1109198 0.85 NPC1 (0.53) MAPTHTTMEN1KMT2ATDP1
SCHEMBL1109382 0.85 LMNA (0.56) REV1LMNAMAPTHTTMEN1
SCHEMBL1109318 0.84 ALDH1A1 (0.49) MEN1KMT2ATDP1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS REV1 293/4885LMNA 3397/4885MAPT 4619/4885

“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.