SCHEMBL3044447

SCHEMBL3044447

O=P(O)(O)COCc1ncc2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPRT1 P00492 5/20 0.36
CDK2 P24941 2/20 0.34
PNP P00491 3/20 0.33
PAK1 Q13153 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
POLA1 P09884 1/20 0.31

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
SCHEMBL8708640 0.93 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1HPRT1CDK2
SCHEMBL3054589 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1HPRT1CDK2
SCHEMBL9617743 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1HPRT1CDK2
SCHEMBL460357 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ERXFP1CDK2
SCHEMBL9515925 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL4969622 0.72 KDM4E (0.38) ALDH1A1KDM4ERXFP1HPRT1CDK2
SCHEMBL8710364 0.72 HPRT1 (0.33) HPRT1
SCHEMBL28215939 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL31618832 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL5482507 0.70 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754718-B2 Antiviral helioxanthin analogs YALE UNIVERSITY (US) 2010-07-13 US disclosed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 US disclosed
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO disclosed
US-6306899-B1 VIRICIDES YALE UNIVERSITY 2001-10-23 US disclosed
EP-1107961-A1 INHIBITION AND TREATMENT OF HEPATITIS B VIRUS AND FLAVIVIRUS BY HELIOXANTHIN AND ITS ANALOGS YALE UNIVERSITY (US) 2001-06-20 EP disclosed
WO-2000010991-A1 INHIBITION AND TREATMENT OF HEPATITIS B VIRUS AND FLAVIVIRUS BY HELIOXANTHIN AND ITS ANALOGS YALE UNIVERSITY (US) 2000-03-02 WO 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-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 ALDH1A1 1351/4885KDM4E 1857/4885RXFP1 3503/4885

“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.