SCHEMBL21029966

SCHEMBL21029966

CCCCCCCC(CCCCCCC)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 8/20 0.36
KCNH2 Q12809 1/20 0.35
DAGLA Q9Y4D2 5/20 0.35

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
SCHEMBL18948470 1.00 LMNA (0.37) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL24688358 1.00 LMNA (0.37) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL19890352 1.00 LMNA (0.37) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL21004269 1.00 LMNA (0.37) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL26078434 0.98 LMNA (0.36) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL19134116 0.98 DNM1 (0.38) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL21715637 0.98 OPRM1 (0.34) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL7524050 0.96 DNM1 (0.34) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL26546032 0.92 NR1I2 (0.41) LMNAKDM4EUSP2ALOX15ALOX12
SCHEMBL23709479 0.91 BDKRB2 (0.35) KCNH2

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-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 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 (2 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-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS LMNA 4460/4885KDM4E 2747/4885USP2 3302/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS LMNA 4460/4885KDM4E 2747/4885USP2 3302/4885

“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.