SCHEMBL3072386

SCHEMBL3072386

CCCCCC1CCC(N=C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 4/20 0.41
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.33
CCR2 P41597 1/20 0.33
LSS P48449 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL10592894 0.98 TP53 (0.41) ALDH1A1CYP1A2TP53PKMHTT
SCHEMBL1492997 0.94 CYP1A2 (0.47) ALDH1A1CYP1A2TP53PKMHTT
SCHEMBL1493007 0.86 ALDH1A1 (0.46) ALDH1A1CYP1A2HTTLMNAMAPK1
SCHEMBL9785578 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL5070945 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL27322034 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2TP53PKMEPHX1
Decane SCHEMBL10581067 0.79 ALDH1A1 (0.64) ALDH1A1CYP1A2EPHX1CYP3A4
SCHEMBL16859665 0.78 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL4264397 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7757646 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
EP-2674437-A1 Novel antibacterial agents for the treatment of GRAM positive infections Cubist Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
EP-2379580-B1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARM INC (US) 2013-10-23 EP disclosed
EP-2379580-B1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARM INC (US) 2013-10-23 EP disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010075215-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2010-07-01 WO disclosed
CN-1046522-A Alicyclic diamine and vulcabond of alicyclic ring and polyisocyanate root close isocyanuric acid ester and preparation method thereof MITSUI TOATSU CHEMICALS (JP) 1990-10-31 CN 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885CYP1A2 4749/4885TP53 4408/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885CYP1A2 4749/4885TP53 4408/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885CYP1A2 4749/4885TP53 4408/4885

“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.