SCHEMBL19657010

SCHEMBL19657010

c1ccc(-c2c[nH]c(C3CCCC(C4CCCCCCC4)CCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.48
ADORA3 P0DMS8 6/20 0.48
ADORA2A P29274 3/20 0.48
ADORA2B P29275 2/20 0.48
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
RAF1 P04049 1/20 0.36

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
SCHEMBL19657007 1.00 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2BPOLB
SCHEMBL22931042 0.98 ADORA1 (0.49) ADORA1ADORA3ADORA2AADORA2BPOLB
SCHEMBL242610 0.94 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BPOLB
SCHEMBL4670822 0.80 ADORA3 (0.40) ADORA1ADORA3ADORA2AADORA2BNPC1
SCHEMBL312409 0.80 SLC18A3 (0.50) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8016614 0.79 KDM4E (0.44) ADORA1ADORA3ADORA2AADORA2BDHODH
Hydrochloric Acid SCHEMBL1653372 0.79 SLC18A3 (0.49) ADORA1ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL311386 0.79 SLC18A3 (0.49) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6166041 0.78 SLC18A3 (0.47) ADORA1ADORA3ADORA2B
Hydrochloric Acid SCHEMBL6806273 0.77 SLC18A3 (0.46) ADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 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-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH ADORA1 2789/4885ADORA3 3271/4885ADORA2A 3561/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 ADORA1 2636/4885ADORA3 3026/4885ADORA2A 3547/4885

“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.