SCHEMBL16596254

SCHEMBL16596254

CCCCCCCCCCCC(=O)Nc1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.76
HDAC3 O15379 2/20 0.73
HDAC1 Q13547 2/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC4 P56524 1/20 0.73
HDAC7 Q8WUI4 1/20 0.73
HDAC10 Q969S8 1/20 0.73
HDAC11 Q96DB2 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73
HDAC5 Q9UQL6 1/20 0.73
LMNA P02545 3/20 0.68
POLB P06746 1/20 0.68
BCHE P06276 1/20 0.60
SOAT2 O75908 1/20 0.60
SOAT1 P35610 1/20 0.60
HTT P42858 1/20 0.59
ENPP2 Q13822 1/20 0.58
DGAT2 Q96PD7 1/20 0.58

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
SCHEMBL8671160 1.00 HPGD (0.76) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL10581544 1.00 HPGD (0.76) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL28347915 1.00 HPGD (0.76) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL11928065 0.98 HPGD (0.78) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL10913949 0.93 HPGD (0.70) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL13109349 0.91 SOAT2 (0.75) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL3448581 0.91 SOAT2 (0.75) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL3448583 0.91 SOAT2 (0.75) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL28347772 0.90 HPGD (0.64) HPGDHDAC3HDAC1HDAC2HDAC8
SCHEMBL18328436 0.89 HPGD (0.62) HPGDHDAC3HDAC1HDAC2HDAC8

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-20230303493-A1 ANTIBACTERIAL ADJUVANTS AND APPLICATIONS THEREOF SAN JOSE STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-28 US disclosed
US-20230303493-A1 ANTIBACTERIAL ADJUVANTS AND APPLICATIONS THEREOF SAN JOSE STATE UNIVERSITY RESEARCH FOUNDATION 2023-09-28 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
CN-106822895-A Photoresponse liposome and its preparation method and application 深圳市前海安测信息技术有限公司 2017-06-13 CN disclosed
CN-106800521-A Azobenzene derivatives and its preparation method and application 深圳市易特科信息技术有限公司 2017-06-06 CN disclosed
CN-106692058-A Azobenzene derivative containing lipidosome as well as preparation method and application thereof 深圳市易特科信息技术有限公司 2017-05-24 CN disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 WO disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 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 (2 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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR HPGD 481/4885HDAC3 3253/4885HDAC1 3127/4885
US-20230303493-A1 ANTIBACTERIAL ADJUVANTS AND APPLICATIONS THEREOF CAPG, SLC11A2, CAPRIN1 HPGD 2173/4885HDAC3 3915/4885HDAC1 3114/4885

“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.