SCHEMBL401127

SCHEMBL401127

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.52
LMNA P02545 4/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ADCY1 Q08828 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ACKR3 P25106 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL405000 0.83 CA12 (0.47) MCHR1LMNAALDH1A1OPRM1OPRK1
SCHEMBL404781 0.83 ALDH1A1 (0.52) MCHR1LMNAALDH1A1HDAC4HDAC1
SCHEMBL402119 0.82 SMN1; SMN2 (0.46) MCHR1LMNAPOLBALDH1A1L3MBTL1
SCHEMBL404734 0.82 TSHR (0.46) MCHR1LMNAALDH1A1HDAC3OPRM1
SCHEMBL402450 0.82 TRPV1 (0.53) LMNAPOLBALDH1A1GAAMAPT
SCHEMBL404159 0.81 POLB (0.47) MCHR1LMNAPOLBALDH1A1TMEM97
SCHEMBL1101488 0.81 HPGD (0.47) ALDH1A1RAB9AHDAC4SMN1; SMN2OPRK1
SCHEMBL14224146 0.81 DRD2 (0.48) L3MBTL1TMEM97SIGMAR1HDAC3OPRM1
SCHEMBL404268 0.81 DRD2 (0.46) MCHR1LMNAALDH1A1TMEM97SIGMAR1
SCHEMBL8429875 0.80 LMNA (0.70) LMNAALDH1A1GAAL3MBTL1EPHX2

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 MCHR1 4181/4885LMNA 3397/4885POLB 640/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MCHR1 4181/4885LMNA 3397/4885POLB 640/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MCHR1 4181/4885LMNA 3397/4885POLB 640/4885

“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.