SCHEMBL16007672

SCHEMBL16007672

O=c1[nH]c(-c2ccc(O)c(O)c2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GUSB P08236 8/20 1.00
CYP1A1 P04798 3/20 0.72
CYP1B1 Q16678 3/20 0.72
CYP1A2 P05177 1/20 0.72
TNKS O95271 11/20 0.71
TNKS2 Q9H2K2 10/20 0.71
PARP1 P09874 6/20 0.71
PARP2 Q9UGN5 2/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60

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
SCHEMBL6885282 0.84 TNKS (0.93) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL15691348 0.84 CYP1A1 (1.00) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL15690958 0.84 GUSB (1.00) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL2006170 0.83 TNKS (1.00) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL29900584 0.83 TNKS (1.00) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL8620410 0.83 TNKS (0.83) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL873906 0.82 TNKS (0.71) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL4505299 0.82 TNKS (0.71) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL29784025 0.82 TNKS (0.71) GUSBCYP1A1CYP1B1TNKSTNKS2
SCHEMBL15689534 0.82 TNKS (0.75) GUSBCYP1A1CYP1B1CYP1A2TNKS

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 1/4885CYP1A1 115/4885CYP1B1 120/4885

“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.