SCHEMBL5456581

SCHEMBL5456581

O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.64
RB1 P06400 7/20 0.57
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
MET P08581 1/20 0.50
KDR P35968 1/20 0.50
MERTK Q12866 1/20 0.50
GRM4 Q14833 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2D6 P10635 1/20 0.43
BRD3 Q15059 1/20 0.43

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
SCHEMBL5461886 0.85 RB1 (0.53) DHODHRB1SMN1; SMN2MAPTALOX15
SCHEMBL5460530 0.84 RB1 (0.53) DHODHRB1SMN1; SMN2MAPTMEN1
SCHEMBL5452147 0.84 RB1 (0.57) DHODHRB1SMN1; SMN2MAPTALOX15
SCHEMBL5460471 0.82 RB1 (0.58) RB1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5466568 0.82 RB1 (0.58) RB1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5445869 0.81 RB1 (0.57) RB1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5456655 0.80 RB1 (0.56) RB1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5449914 0.80 RB1 (0.56) DHODHRB1SMN1; SMN2MAPTALOX15
SCHEMBL5460533 0.80 RB1 (0.52) RB1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5451546 0.79 RB1 (0.55) RB1SMN1; SMN2MAPTALOX15MAPK1

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 DHODH 1635/4885RB1 1821/4885EGFR 3099/4885

“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.