SCHEMBL5454039

SCHEMBL5454039

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RB1 P06400 4/20 0.53
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
DHODH Q02127 1/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 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
SCHEMBL5454765 1.00 RB1 (0.53) RB1ALDH1A1USP2NPSR1L3MBTL1
SCHEMBL5447153 0.99 RB1 (0.53) RB1ALDH1A1USP2NPSR1L3MBTL1
SCHEMBL5461018 0.93 RB1 (0.49) RB1ALDH1A1USP2NPSR1L3MBTL1
SCHEMBL5454075 0.91 RB1 (0.53) RB1ALDH1A1SMN1; SMN2CDK1CDK2
SCHEMBL5456622 0.90 RB1 (0.61) RB1ALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL5446986 0.88 ALDH1A1 (0.49) ALDH1A1USP2NPSR1L3MBTL1PARP1
SCHEMBL5448977 0.87 CDC42 (0.48) ALDH1A1USP2NPSR1L3MBTL1PARP1
SCHEMBL5454096 0.85 CDC42 (0.50) ALDH1A1USP2NPSR1L3MBTL1PARP1
SCHEMBL5455546 0.85 RAB9A (0.55) RB1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5459638 0.84 GAA (0.47) ALDH1A1USP2NPSR1L3MBTL1PARP1

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 1821/4885ALDH1A1 2322/4885USP2 1041/4885

“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.