SCHEMBL3240218

SCHEMBL3240218

[CH2]c1ccc(CN(C)Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.41
PYCR1 P32322 4/20 0.39
ACHE P22303 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNJ1 P48048 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LSS P48449 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL3240150 0.81 PYCR1 (0.56) ALDH1A1KDM4ESMN1; SMN2RIPK1PYCR1
SCHEMBL23374698 0.79 RIPK1 (0.47) HTTALDH1A1KDM4ESMN1; SMN2RIPK1
SCHEMBL23972532 0.77 HRH3 (0.50) HTTALDH1A1RIPK1TSHRHTR2A
SCHEMBL23374701 0.75 RIPK1 (0.41) HTTALDH1A1KDM4ESMN1; SMN2RIPK1
SCHEMBL3242409 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2PYCR1ACHE
SCHEMBL25488451 0.70 RIPK1 (0.50) HTTALDH1A1KDM4ERIPK1MAOA
SCHEMBL27258858 0.70 HTT (0.46) HTTALDH1A1RIPK1MAOAMAOB
SCHEMBL3191532 0.69 PYCR1 (0.67) ALDH1A1KDM4ESMN1; SMN2RIPK1PYCR1
SCHEMBL3771308 0.69 HRH3 (0.64) ALDH1A1PYCR1TSHR
SCHEMBL30093198 0.69 PYCR1 (0.67) ALDH1A1KDM4ESMN1; SMN2RIPK1PYCR1

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 738/4885ALDH1A1 2115/4885KDM4E 4565/4885

“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.