SCHEMBL405409

SCHEMBL405409

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CN3CCN(c4ccccc4F)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 2/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL10287218 0.93 ALDH1A1 (0.56) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL404576 0.88 TSHR (0.55) TSHRALDH1A1HTT
SCHEMBL403077 0.87 REV1 (0.53) MAPTKMT2AMEN1LMNAHTT
SCHEMBL14196129 0.86 DRD4 (0.51) ALDH1A1SMN1; SMN2LMNA
SCHEMBL403571 0.86 ALDH1A1 (0.52) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL399640 0.85 LMNA (0.44) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL404637 0.85 NPC1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL403977 0.84 NPC1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL439727 0.84 NPC1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL10286938 0.84 ALDH1A1 (0.54) TSHRALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-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-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-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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TSHR 4122/4885ALDH1A1 782/4885CYP1A2 277/4885

“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.