SCHEMBL404036

SCHEMBL404036

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
POLB P06746 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MTOR P42345 6/20 0.52
PIK3CA P42336 5/20 0.52
PIK3CG P48736 4/20 0.52
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CD274 Q9NZQ7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL399454 0.81 MAPT (0.55) MAPTTDP1ALDH1A1MAPK1POLB
SCHEMBL403500 0.81 CD274 (0.48) ALDH1A1MTORPIK3CAPIK3CGCD274
SCHEMBL405000 0.74 CA12 (0.47) ALDH1A1MAPK1LMNA
SCHEMBL1663174 0.74 SMN1; SMN2 (0.67) MAPTTDP1ALDH1A1MAPK1POLB
SCHEMBL404781 0.74 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAHDAC6KMT2A
SCHEMBL404206 0.73 MCHR1 (0.46) NPC1RAB9AKMT2A
SCHEMBL403586 0.73 MAPK14 (0.46) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL404734 0.73 TSHR (0.46) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL402119 0.73 SMN1; SMN2 (0.46) MAPTALDH1A1MAPK1POLBATM
SCHEMBL402467 0.72 ALDH1A1 (0.48) ALDH1A1MAPK1LMNA

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 32 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-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-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 MAPT 4619/4885TDP1 3892/4885ALDH1A1 782/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPT 4619/4885TDP1 3892/4885ALDH1A1 782/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MAPT 4619/4885TDP1 3892/4885ALDH1A1 782/4885

“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.