SCHEMBL5468005

SCHEMBL5468005

O=C(Cc1ccc(Br)cc1)Nc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 5/20 0.51
CYP2D6 P10635 2/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
BRD3 Q15059 3/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
KCNH2 Q12809 1/20 0.42
GLA P06280 1/20 0.41
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NLRP3 Q96P20 1/20 0.39
CDC42 P60953 1/20 0.39

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
SCHEMBL5449016 0.91 BRD3 (0.51) RB1BRD3NMT2NMT1GAA
SCHEMBL5475990 0.90 RB1 (0.54) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5451546 0.86 RB1 (0.55) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5456655 0.85 RB1 (0.56) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5456607 0.84 GAA (0.49) RB1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5468135 0.84 RB1 (0.55) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5452796 0.82 RB1 (0.56) RB1CYP2D6MAPTSMN1; SMN2BRD3
SCHEMBL5460471 0.81 RB1 (0.58) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5466568 0.81 RB1 (0.58) RB1CYP2D6MEN1KMT2AMAPT
SCHEMBL5455563 0.81 RB1 (0.57) RB1CYP2D6MAPTSMN1; SMN2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 RB1 1821/4885CYP2D6 670/4885MEN1 4748/4885

“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.