SCHEMBL3539633

SCHEMBL3539633

CCNc1nc(C(=O)O)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
HDAC1 Q13547 2/20 0.37
HCAR3 P49019 1/20 0.37
NLRP3 Q96P20 1/20 0.36
CES1 P23141 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HCAR2 Q8TDS4 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KLKB1 P03952 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL25933664 0.86 ELANE (0.40) ELANEHDAC1HCAR3NLRP3CES1
SCHEMBL20705484 0.84 HDAC1 (0.36) ELANEHDAC1NLRP3L3MBTL1KLKB1
SCHEMBL19538513 0.83 HDAC1 (0.35) ELANEHDAC1NLRP3L3MBTL1RAB9A
SCHEMBL25933192 0.81 HCAR3 (0.41) HDAC1HCAR3CES1KDM4EHCAR2
SCHEMBL1527329 0.81 ELANE (0.45) ELANEHCAR3CES1KDM4EHCAR2
SCHEMBL18629308 0.79 HDAC1 (0.40) ELANEHDAC1NLRP3CES1KDM4E
SCHEMBL12999910 0.79 KMT2A (0.42) HDAC1CES1KDM4ELMNAL3MBTL1
SCHEMBL6645915 0.78 HPGD (0.40) HDAC1NLRP3CES1KDM4EHCAR2
SCHEMBL15053076 0.76 KDM4E (0.46) HDAC1CES1KDM4ELMNAL3MBTL1
SCHEMBL25518364 0.76 HDAC1 (0.36) HDAC1NLRP3CES1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ELANE 968/4885HDAC1 590/4885HCAR3 1618/4885

“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.