SCHEMBL3240410

SCHEMBL3240410

[CH2]c1ccc(CN(CCO)Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ACHE P22303 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.43
HDAC1 Q13547 4/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
BCHE P06276 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL18546022 0.88 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL122771 0.88 HTT (0.68) HTTMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6162321 0.86 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL9641405 0.84 HTT (0.69) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3240490 0.84 CNR2 (0.53) HTTALDH1A1KDM4ETSHRMAPK1
SCHEMBL79747 0.84 HTT (0.62) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3240264 0.82 CHRNB2 (0.46) HTTMEN1KMT2AHDAC1HDAC3
Hydrochloric Acid SCHEMBL2313460 0.82 HTT (0.61) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL9320386 0.82 HTT (0.66) HTTMEN1KMT2AALDH1A1LMNA
Bromide SCHEMBL15391224 0.82 HTT (0.61) HTTMEN1KMT2AALDH1A1LMNA

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HTT 738/4885MEN1 2895/4885KMT2A 4715/4885

“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.