SCHEMBL21226652

SCHEMBL21226652

CCCC(=N)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 2/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL17591584 0.78 HTR7 (0.50) LMNAALDH1A1POLBGAAHDAC3
SCHEMBL13317140 0.77 CES2 (0.52) LMNACES2CES1L3MBTL1ATM
Water SCHEMBL27746185 0.77 HSD17B3 (0.35) CES2CES1L3MBTL1HPGDHSD17B3
SCHEMBL27720896 0.77 ALDH1A1 (0.57) ALDH1A1TSHRL3MBTL1MAPTHPGD
SCHEMBL11775179 0.76 POLB (0.42) LMNAALDH1A1KDM4EPOLBGAA
SCHEMBL10193619 0.75 ALOX15 (0.50) LMNAALDH1A1KDM4EPOLBCES2
SCHEMBL27885970 0.75 HSD17B3 (0.42) ALDH1A1CES2CES1HTTL3MBTL1
SCHEMBL27826396 0.75 HDAC3 (0.37) ALDH1A1HDAC3HDAC1HDAC2HTT
SCHEMBL10193618 0.75 CXCR3 (0.49) LMNAALDH1A1POLBGAAHTT
SCHEMBL20834527 0.75 LMNA (0.50) LMNAALDH1A1KDM4ECES2CES1

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-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 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-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B LMNA 3006/4885ALDH1A1 1016/4885KDM4E 3245/4885

“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.