SCHEMBL7047428

SCHEMBL7047428

O=Cc1ccc(-c2nc3ccccc3nc2-c2ccc(C=O)[nH]2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
CYP2A6 P11509 1/20 0.39
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
AHR P35869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 7/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
QTRT1 Q9BXR0 1/20 0.33
MASP2 O00187 1/20 0.33
NUDT1 P36639 1/20 0.33
AOC3 Q16853 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
BLM P54132 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL9766726 0.75 ALDH1A1 (0.53) ALDH1A1MAPTCYP2A6RAB9ANPC1
SCHEMBL13568569 0.74 RAB9A (0.50) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7045457 0.71 MAPT (0.40) ALDH1A1MAPTRAB9ANPC1AHR
SCHEMBL7042202 0.71 MAPT (0.40) ALDH1A1MAPTRAB9ANPC1AHR
SCHEMBL30677005 0.68 CYP2A6 (0.44) ALDH1A1MAPTCYP2A6RAB9ANPC1
SCHEMBL1309456 0.67
SCHEMBL7041871 0.66 HPGD (0.44) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12687094 0.65 ALDH1A1 (0.42) ALDH1A1MAPTCYP2A6
SCHEMBL12687033 0.64 ALDH1A1 (0.41) ALDH1A1MAPTCYP2A6
SCHEMBL9755100 0.64 MAPT (0.71) ALDH1A1MAPTRAB9ANPC1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346832-B2 Gold complexes for use in the treatment of cancer UNIVERSITY OF KWAZULU-NATAL (ZA) 2016-05-24 US disclosed
US-9346832-B2 Gold complexes for use in the treatment of cancer UNIVERSITY OF KWAZULU-NATAL (ZA) 2016-05-24 US disclosed
US-9346832-B2 Gold complexes for use in the treatment of cancer UNIVERSITY OF KWAZULU-NATAL (ZA) 2016-05-24 US disclosed
US-20130090472-A1 GOLD COMPLEXES FOR USE IN THE TREATMENT OF CANCER UNIVERSITY OF KWAZULU-NATAL (ZA) 2013-04-11 US disclosed
US-20130090472-A1 GOLD COMPLEXES FOR USE IN THE TREATMENT OF CANCER UNIVERSITY OF KWAZULU-NATAL (ZA) 2013-04-11 US disclosed
US-20130090472-A1 GOLD COMPLEXES FOR USE IN THE TREATMENT OF CANCER UNIVERSITY OF KWAZULU-NATAL (ZA) 2013-04-11 US disclosed
WO-2011158176-A2 GOLD COMPLEXES UNIVERSITY OF KWAZULU-NATAL (ZA) 2011-12-22 WO disclosed
US-20030162960-A1 Colormetric sensor compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-28 US disclosed
US-6482949-B1 Colormetric sensor compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-19 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 (2 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-20130090472-A1 GOLD COMPLEXES FOR USE IN THE TREATMENT OF CANCER PYM1, SLC39A11, SLC39A3 ALDH1A1 2366/4885MAPT 3929/4885CYP2A6 769/4885
US-20030162960-A1 Colormetric sensor compositions and methods PAH, NISCH, SPR ALDH1A1 1798/4885MAPT 2663/4885CYP2A6 1112/4885

“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.