SCHEMBL5808668

SCHEMBL5808668

COC(=O)C(Cc1c[nH]cn1)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 2/20 0.39
NLRP3 Q96P20 1/20 0.35
ATM Q13315 1/20 0.35
TACR1 P25103 3/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 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
SCHEMBL5808669 1.00 HDAC6 (0.39) HDAC6HDAC1NLRP3ATMTACR1
SCHEMBL5810645 0.89 TACR1 (0.39) NLRP3TACR1THRB
SCHEMBL5810644 0.89 TACR1 (0.39) NLRP3TACR1THRB
SCHEMBL5813144 0.88 KDM4E (0.36) NLRP3TACR1ALDH1A1
SCHEMBL5813150 0.88 KDM4E (0.36) NLRP3TACR1ALDH1A1
SCHEMBL29103272 0.87 HDAC6 (0.36) HDAC6HDAC1NLRP3ATMALDH1A1
SCHEMBL5814148 0.87 TACR1 (0.35) TACR1ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL30325287 0.87 TGFBR1 (0.37) HDAC6HDAC1NLRP3ATMALDH1A1
SCHEMBL28712459 0.87 TGFBR1 (0.37) HDAC6HDAC1NLRP3ATMALDH1A1
SCHEMBL5814144 0.87 TACR1 (0.35) TACR1ALDH1A1CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
CN-113816908-A Method for realizing alkylation of histidine or polypeptide thereof by using micro-channel photoreaction technology 南京先进生物材料与过程装备研究院有限公司 2021-12-21 CN disclosed
US-20070149441-A1 Functionalized derivatives of hyaluronic acid, formation of hydrogels in situ using same, and methods for making and using same ORTHOGENE LLC (US) 2007-06-28 US disclosed
US-7196180-B2 Functionalized derivatives of hyaluronic acid, formation of hydrogels in situ using same, and methods for making and using same ORTHOGENE LLC (US) 2007-03-27 US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 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-20070149441-A1 Functionalized derivatives of hyaluronic acid, formation of hydrogels in situ using same, and methods for making and using same CD44, HDGF, HAAO HDAC6 297/4885HDAC1 719/4885NLRP3 3589/4885

“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.