SCHEMBL22894785

SCHEMBL22894785

CC(C)(C)OC(=O)n1c(CCl)nc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.45
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
PABPC1 P11940 1/20 0.41
GAA P10253 2/20 0.41
ENPP2 Q13822 3/20 0.41
SCN9A Q15858 5/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40

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
SCHEMBL13425477 0.88 LMNA (0.41) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL4379489 0.85 LMNA (0.40) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL30814318 0.83 LMNA (0.41) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL13425952 0.82 LMNA (0.43) LMNAFAAHMEN1KMT2APOLB
SCHEMBL368032 0.81 CYP1A2 (0.45) TBXA2RFAAHMEN1KMT2ACYP3A4
SCHEMBL30814302 0.80 LMNA (0.38) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL30814683 0.80 LMNA (0.38) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL30814289 0.79 LMNA (0.40) TBXA2RLMNAMEN1KMT2APOLB
SCHEMBL30728434 0.74 POLB (0.47) MEN1KMT2APOLBCYP3A4ALDH1A1
SCHEMBL6581767 0.72 BRD4 (0.43) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 TBXA2R 49/4885LMNA 3609/4885FAAH 1745/4885

“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.