SCHEMBL4119737

SCHEMBL4119737

NCC(N)CCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL4115080 0.98 HRH3 (0.39) HRH3L3MBTL1LMNAMAPTANPEP
Hydrochloric Acid SCHEMBL3669525 0.86 ALOX15 (0.43) ALOX15
SCHEMBL15559429 0.84 HRH3 (0.46) HRH3L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL15559428 0.84 HRH3 (0.46) HRH3L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL10447876 0.82 ALOX15 (0.59) ALDH1A1ALOX15
SCHEMBL4119651 0.82 ALOX15 (0.40) HRH3L3MBTL1LMNAALDH1A1MAPT
SCHEMBL3091684 0.80 L3MBTL1 (0.42) HRH3L3MBTL1LMNAALDH1A1MAPT
SCHEMBL23278171 0.78 HRH3 (0.39) HRH3L3MBTL1LMNAALDH1A1MAPT
SCHEMBL1264196 0.78 POLB (0.41) POLBANPEPERAP2ALOX15
SCHEMBL10609723 0.78 HRH3 (0.48) HRH3L3MBTL1LMNAALDH1A1MAPT

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-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS HRH3 1086/4885L3MBTL1 3415/4885LMNA 3428/4885

“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.