SCHEMBL21998668

SCHEMBL21998668

CCCCCCCCCCCCC(=O)NCCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
EPHX2 P34913 2/20 0.54
MTNR1A P48039 1/20 0.53
TLR2 O60603 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
FAAH O00519 1/20 0.50

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
SCHEMBL21998743 1.00 KMT2A (0.56) KMT2AMEN1EPHX2MTNR1ATLR2
SCHEMBL2186652 1.00 KMT2A (0.56) KMT2AMEN1EPHX2MTNR1ATLR2
SCHEMBL21998738 1.00 KMT2A (0.56) KMT2AMEN1EPHX2MTNR1ATLR2
SCHEMBL9779435 0.89 KMT2A (0.60) KMT2AMEN1SMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL29008440 0.85 SMN1; SMN2 (0.68) KMT2AMEN1EPHX2SMN1; SMN2HSD17B10
SCHEMBL5862791 0.85 SMN1; SMN2 (0.72) KMT2AMEN1EPHX2SMN1; SMN2MAPT
SCHEMBL18381293 0.83 KMT2A (0.55) KMT2AMEN1SMN1; SMN2MAPTHPGD
SCHEMBL16353805 0.83 SMN1; SMN2 (0.74) KMT2AMEN1SMN1; SMN2MAPTCYP1A2
SCHEMBL2093615 0.83 SMN1; SMN2 (0.59) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL14264753 0.82 SMN1; SMN2 (0.61) KMT2AMEN1TLR2SMN1; SMN2LMNA

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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH KMT2A 1794/4885MEN1 2749/4885EPHX2 2131/4885

“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.