SCHEMBL7200355

SCHEMBL7200355

CC(=O)n1c(N)nc2c(ncn2CCC(CO)CO)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ADRA1A P35348 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TK1 P04183 1/20 0.41
BLM P54132 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
VCP P55072 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDE3A Q14432 1/20 0.38
HPRT1 P00492 6/20 0.36

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
SCHEMBL7198496 0.85 TK1 (0.38) ALDH1A1HSD17B10KDM4EHPGDADRA1A
SCHEMBL7192987 0.76 KDM4E (0.48) ALDH1A1HSD17B10KDM4EHPGDADRA1A
Acetic Acid SCHEMBL28553746 0.76 CYP2C19 (0.48) ALDH1A1HSD17B10KDM4EHPGDADRA1A
SCHEMBL9566539 0.76 PNP (0.60) ALDH1A1HSD17B10TK1BLMMEN1
SCHEMBL12193833 0.76 CCNE1 (0.48) ALDH1A1HSD17B10KDM4EHPGDADRA1A
Penciclovir SCHEMBL3495 0.75 TK1 (0.70) ALDH1A1HSD17B10TK1BLMMEN1
SCHEMBL8165314 0.75 PNP (0.56) ALDH1A1RXFP1CYP3A4SMN1; SMN2HIF1A
Penciclovir SCHEMBL583037 0.74 TK1 (0.69) ALDH1A1HSD17B10TK1BLMMEN1
Penciclovir SCHEMBL10414021 0.74 TK1 (0.69) ALDH1A1HSD17B10TK1BLMMEN1
Penciclovir SCHEMBL7192792 0.74 TK1 (0.69) ALDH1A1HSD17B10TK1BLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549930-B2 Combined systemic and topical treatment of disordered and/or prodromal stage tissue QUADEX PHARMACEUTICALS, LLC (US) 2017-01-24 US disclosed
US-9545408-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
EP-2968228-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES Quadex Pharmaceuticals, LLC (US) 2016-01-20 EP disclosed
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE QUADEX PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC 2015-12-03 US disclosed
US-9125911-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, LLC (US) 2015-09-08 US disclosed
WO-2014160369-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC (US) 2014-10-02 WO disclosed
US-20140274939-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC (US) 2014-09-18 US disclosed
US-6579981-B1 Treating herpes virus NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-17 US disclosed
US-6573378-B1 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine having a purity of greater than 95% by weight or it's sodium salt NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-03 US disclosed
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP disclosed
EP-0141927-A2 Antiviral guanine derivatives BEECHAM GROUP PLC (GB) 1985-05-22 EP 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 (3 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-20140274939-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES SAMHD1, DCTD, NT5E ALDH1A1 3928/4885HSD17B10 3681/4885KDM4E 3252/4885
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES NT5E, SAMHD1, DCTD ALDH1A1 3897/4885HSD17B10 3879/4885KDM4E 2688/4885
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE SAMHD1, CUTA, TK1 ALDH1A1 4317/4885HSD17B10 4458/4885KDM4E 3024/4885

“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.