SCHEMBL2333461

SCHEMBL2333461

c1ccc2c(CCCCCCCCCCc3ccnc4ccccc34)ccnc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
HTR1A P08908 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
NCF1 P14598 1/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FERMT2 Q96AC1 1/20 0.43
MAPT P10636 1/20 0.43
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL2331919 1.00 LOXL2 (0.62) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10585446 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6114551 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL16288899 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6115140 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6114811 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6114968 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10752255 0.91 LOXL2 (0.62) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL16289396 0.91 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14157416 0.91 LOXL2 (0.62) LOXL2HTR1AADRA1DADRA1AADRA1B

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 LOXL2 3973/4885HTR1A 4697/4885ADRA1D 4776/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP LOXL2 3973/4885HTR1A 4697/4885ADRA1D 4776/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP LOXL2 3973/4885HTR1A 4697/4885ADRA1D 4776/4885

“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.