SCHEMBL5456604

SCHEMBL5456604

Cc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
CASP6 P55212 1/20 0.69
PRMT5 O14744 2/20 0.64
RB1 P06400 3/20 0.59
CDC42 P60953 1/20 0.57
SIRT1 Q96EB6 3/20 0.55
CYP2D6 P10635 2/20 0.52
CDKN1A P38936 1/20 0.52
RECQL P46063 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
KCNH2 Q12809 1/20 0.50
BRD3 Q15059 5/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL16433492 0.93 GAA (0.71) GAACASP6PRMT5RB1CDC42
SCHEMBL4187019 0.89 GAA (0.72) GAACASP6PRMT5RB1CDC42
SCHEMBL5461934 0.89 PRMT5 (0.69) GAACASP6PRMT5RB1CDC42
SCHEMBL4165396 0.89 GAA (0.66) GAACASP6PRMT5RB1CDC42
Hydrochloric Acid SCHEMBL4158259 0.88 GAA (0.74) GAACASP6PRMT5RB1CDC42
SCHEMBL22135890 0.88 CDC42 (0.56) GAACASP6PRMT5RB1CDC42
SCHEMBL22135891 0.88 CDC42 (0.56) GAACASP6PRMT5RB1CDC42
SCHEMBL5428515 0.87 GAA (0.64) GAACASP6PRMT5RB1CDC42
SCHEMBL5468186 0.87 PRMT5 (0.66) GAACASP6PRMT5RB1SIRT1
SCHEMBL22135733 0.86 CYP2D6 (0.70) GAACASP6PRMT5RB1CDC42

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-11529354-B2 Methods and compositions for the treatment of tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-20 US disclosed
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
EP-3612534-B1 PROCESS FOR THE PREPARATION OF PIPERAZINE RING FOR THE SYNTHESIS OF PYRAZINOCARBAZOLE DERIVATIVES TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2021-12-22 EP disclosed
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-13 US disclosed
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 WO disclosed
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
WO-2019050890-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 WO disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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 (5 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885CASP6 3264/4885PRMT5 1060/4885
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B GAA 1448/4885CASP6 1719/4885PRMT5 1001/4885
US-11529354-B2 Methods and compositions for the treatment of tuberculosis IFNG, FNTB, TYMS GAA 492/4885CASP6 857/4885PRMT5 2931/4885
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
US-20210137932-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS IFNG, FNTB, TYMS GAA 492/4885CASP6 857/4885PRMT5 2931/4885

“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.