SCHEMBL21632097

SCHEMBL21632097

CCCCC(=O)Nc1c(Cl)nc2ccccc2c1NCc1ccc(COC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
GAA P10253 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TLR7 Q9NYK1 9/20 0.41
GLA P06280 3/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TOP2A P11388 3/20 0.40
POLB P06746 1/20 0.39
TLR8 Q9NR97 6/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL21632144 0.87 GAA (0.47) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL22790508 0.84 TLR7 (0.48) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL20766797 0.81 GAA (0.47) KDM4EGAAALDH1A1HPGDGLA
SCHEMBL28872741 0.80 POLB (0.46) TOP2APOLB
SCHEMBL29378988 0.79 GAA (0.46) KDM4EGAAALDH1A1TLR7GLA
SCHEMBL19469435 0.76 EGFR (0.53) ALDH1A1HPGDMAPTTOP2APOLB
SCHEMBL24808190 0.76 KDM4E (0.52) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL6722290 0.74 TOP2A (0.52) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL24808465 0.73 KDM4E (0.49) KDM4EGAAALDH1A1HPGDTSHR
SCHEMBL20801390 0.73 TLR7 (0.51) KDM4EGAAALDH1A1HPGDTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213010-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS DANMARKS TEKNISKE UNIVERSITET (DK) 2021-07-15 US disclosed
EP-3827002-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS Torque Therapeutics, Inc. (US) 2021-06-02 EP disclosed
WO-2020023680-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS TORQUE THERAPEUTICS, INC. (US) 2020-01-30 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-20210213010-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS TLR7, TLR9, TLR8 KDM4E 1036/4885GAA 1315/4885ALDH1A1 4407/4885

“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.