SCHEMBL1109346

SCHEMBL1109346

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
HTT P42858 2/20 0.57
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.55
REV1 Q9UBZ9 2/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49

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
SCHEMBL404576 0.92 TSHR (0.55) TSHRHTTALDH1A1REV1
SCHEMBL1109178 0.91 REV1 (0.56) TSHRHTTGAAREV1LMNA
SCHEMBL10287218 0.88 ALDH1A1 (0.56) TSHRHTTGAAALDH1A1REV1
SCHEMBL1109284 0.88 LMNA (0.47) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL1109453 0.88 NPC1 (0.54) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL1109217 0.87 ATM (0.50) ALDH1A1LMNAATM
SCHEMBL1109357 0.87 NPC1 (0.53) HTTGAAALDH1A1MAPTMEN1
SCHEMBL1109198 0.87 NPC1 (0.53) HTTGAAALDH1A1MAPTMEN1
SCHEMBL12064278 0.86 DRD4 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL1109318 0.86 ALDH1A1 (0.49) GAAALDH1A1MEN1KMT2AATM

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 TSHR 4122/4885HTT 4781/4885GAA 79/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885HTT 4781/4885GAA 79/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885HTT 4781/4885GAA 79/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885HTT 4781/4885GAA 79/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885HTT 4781/4885GAA 79/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TSHR 4122/4885HTT 4781/4885GAA 79/4885

“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.