SCHEMBL6440744

SCHEMBL6440744

CC(C)CC1NC(=O)C(C(C)C)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
MLNR O43193 2/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 2/20 0.37
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
ITGB2 P05107 5/20 0.36
ITGA1 P56199 4/20 0.36
ITGB7 P26010 3/20 0.36
GABRA4 P48169 3/20 0.36
ITGA5 P08648 2/20 0.36
ITGAM P11215 2/20 0.36
CTSD P07339 1/20 0.35

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
SCHEMBL30038822 1.00 HRH3 (0.39) HRH3MLNRMEN1ALDH1A1KMT2A
SCHEMBL2869111 1.00 HRH3 (0.39) HRH3MLNRMEN1ALDH1A1KMT2A
SCHEMBL30436539 1.00 HRH3 (0.39) HRH3MLNRMEN1ALDH1A1KMT2A
SCHEMBL29822681 0.93 MLNR (0.38) HRH3MLNRMEN1ALDH1A1KMT2A
Chrysosporide SCHEMBL30609551 0.91 ITGB1 (0.43) HRH3MLNRHDAC1ITGB1ITGA4
SCHEMBL29885671 0.90 PSMB11 (0.38) HRH3MLNRMEN1ALDH1A1KMT2A
SCHEMBL163425 0.87 MEN1 (0.41) MEN1KMT2A
SCHEMBL2867325 0.87 MEN1 (0.41) MEN1KMT2A
SCHEMBL14952770 0.85 MEN1 (0.33) MLNRMEN1ALDH1A1KMT2AMAPT
SCHEMBL6989670 0.84 HDAC3 (0.50) HRH3MLNRHDAC1ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765309-B2 Electrochemical device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-01 US disclosed
US-8765309-B2 Electrochemical device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-07-01 US disclosed
US-8269024-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-8269024-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-20110143211-A1 ELECTROCHEMICAL DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-06-16 US disclosed
US-20110143211-A1 ELECTROCHEMICAL DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-06-16 US disclosed
US-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA BLACKWELL HELEN E 2010-12-02 US disclosed
US-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA BLACKWELL HELEN E 2010-12-02 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
US-20050077648-A1 Solution casting method and polymer film FUJIFILM CORPORATION (JP) 2005-04-14 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 (1 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-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA AHCYL1, BPHL, AIP HRH3 2046/4885MLNR 2233/4885MEN1 1929/4885

“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.