SCHEMBL2331250

SCHEMBL2331250

c1ccc2c(c1)ncn2CCCCCCCCCCn1cnc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.81
SMN1; SMN2 Q16637 8/20 0.73
LMNA P02545 6/20 0.73
TSHR P16473 2/20 0.73
ALOX15 P16050 1/20 0.73
HTT P42858 5/20 0.66
MAPT P10636 3/20 0.65
STAT3 P40763 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
EGLN3 Q9H6Z9 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TNF P01375 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59

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
SCHEMBL352046 1.00 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL353009 1.00 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814241 1.00 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL3161153 0.98 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
Ammonia Solution, Strong SCHEMBL7100443 0.96 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30294105 0.94 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814242 0.94 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL5913898 0.93 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30814332 0.93 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL29162973 0.93 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity WASHINGTON UNIVERSITY (US) 2025-03-11 US disclosed
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 US disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 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 (3 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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP TDP1 364/4885SMN1; SMN2 4411/4885LMNA 3303/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP TDP1 364/4885SMN1; SMN2 4411/4885LMNA 3303/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP TDP1 364/4885SMN1; SMN2 4411/4885LMNA 3303/4885

“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.