SCHEMBL403770

SCHEMBL403770

CCc1ccc(-c2ccc(C(=O)N[C@H](CN(O)C(=O)NCc3cccnc3)[C@@H](C)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B1 P14061 2/20 0.44
MAPT P10636 1/20 0.44
ACACB O00763 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP13 P45452 1/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL403477 0.84 LMNA (0.44) POLBTRPV1HPGDLMNAHTT
SCHEMBL402450 0.81 TRPV1 (0.53) POLBTRPV1HPGDLMNAHTT
SCHEMBL1095582 0.81 TAOK1 (0.42) LMNAALDH1A1SMN1; SMN2
SCHEMBL400868 0.79 KIFC1 (0.42) HPGDLMNAALDH1A1
SCHEMBL403318 0.79 SMN1; SMN2 (0.47) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL405304 0.77 TAOK1 (0.39) LMNAALDH1A1SMN1; SMN2
SCHEMBL403772 0.77 TAS1R3 (0.45) HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL402951 0.76 TAOK1 (0.47) POLBLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL10076246 0.75 TRPV1 (0.74) POLBTRPV1HPGDLMNAHTT
SCHEMBL460327 0.73 TAS1R3 (0.45) HPGDLMNAALDH1A1SMN1; SMN2

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 34 patents — showing the first 20. 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-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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-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-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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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-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 (3 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 POLB 640/4885TRPV1 2713/4885HPGD 408/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS POLB 640/4885TRPV1 2713/4885HPGD 408/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS POLB 640/4885TRPV1 2713/4885HPGD 408/4885

“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.