SCHEMBL20181741

SCHEMBL20181741

CCCCC(CC)n1ncc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.42
SLC6A2 P23975 2/20 0.38
RECQL P46063 2/20 0.37
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR8 Q9NR97 2/20 0.34
KMO O15229 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ELANE P08246 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
P2RX7 Q99572 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL30376517 0.91 ASAH1 (0.42) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL22810558 0.87 ASAH1 (0.44) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL21311151 0.79 ASAH1 (0.45) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL22810539 0.76 SLC6A2 (0.40) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL3862440 0.76 RECQL (0.42) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL30833682 0.75 KMO (0.33) ASAH1POLBTLR8KMOSMN1; SMN2
SCHEMBL5365405 0.75 POLB (0.41) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL5335838 0.74 HDAC8 (0.42) SLC6A2RECQLKMOSMN1; SMN2LMNA
SCHEMBL21591511 0.74 RECQL (0.41) ASAH1SLC6A2RECQLCYP1A2POLB
SCHEMBL27722606 0.72 POLB (0.39) ASAH1SLC6A2RECQLCYP1A2POLB

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 ASAH1 399/4885SLC6A2 4251/4885RECQL 699/4885

“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.