SCHEMBL16007727

SCHEMBL16007727

O=c1[nH]c(-c2cc(O)ccc2O)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 12/20 1.00
▸ HPGD P15428 2/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ TNKS O95271 2/20 0.65
▸ PARP1 P09874 2/20 0.65
▸ TNKS2 Q9H2K2 2/20 0.65
▸ CYP1A1 P04798 2/20 0.56
▸ CYP1B1 Q16678 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ AMY1A P0DUB6 1/20 0.51

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
SCHEMBL31066916 1.00 GUSB (1.00) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL31066914 1.00 GUSB (1.00) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL15691367 0.90 GUSB (0.82) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL18258709 0.86 GUSB (0.76) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL18258694 0.86 GUSB (0.76) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL31710757 0.86 GUSB (0.76) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL11746423 0.85 GUSB (0.74) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL296097 0.85 GUSB (1.00) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL29890314 0.85 GUSB (1.00) GUSBHPGDKDM4ETNKSPARP1
SCHEMBL30259689 0.85 GUSB (1.00) GUSBHPGDKDM4ETNKSPARP1

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-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — US disclosed
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — US disclosed
US-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2014-09-11 — — 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-20140256754-A1 QUINAZOLINES AS B-GLUCURONIDASE NOVEL INHIBITORS GUSB, GBA3, GAA GUSB 1/4885HPGD 1338/4885KDM4E 2483/4885

“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.

Send feedback