SCHEMBL21998622

SCHEMBL21998622

Cc1ccc2[nH]c3c(c2c1)CCCC3NC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
CASP6 P55212 1/20 0.67
PRMT5 O14744 2/20 0.61
CYP2D6 P10635 2/20 0.61
KCNH2 Q12809 1/20 0.61
SIRT1 Q96EB6 3/20 0.58
RECQL P46063 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
BRD3 Q15059 3/20 0.51
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48
CDKN1A P38936 1/20 0.47
CDC42 P60953 1/20 0.46
RB1 P06400 3/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4194377 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL4194153 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL4149725 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL5461901 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL4195673 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL4199294 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL20537339 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL20537338 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL4172408 0.87 CYP2D6 (0.78) GAACASP6PRMT5CYP2D6KCNH2
SCHEMBL21996157 0.87 CYP2D6 (0.79) GAACASP6PRMT5CYP2D6KCNH2

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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RNMT, RRM2B GAA 1007/4885CASP6 2464/4885PRMT5 691/4885

“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.