SCHEMBL1133465

SCHEMBL1133465

Cc1n[nH]c(=O)n1-c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.56
CYP1A2 P05177 2/20 0.49
HCAR1 Q9BXC0 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12692935 0.81 HSP90AA1 (0.57) HSP90AA1CYP1A2HCAR1L3MBTL1POLB
SCHEMBL14422963 0.79 TDP1 (0.73) TDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3520528 0.77 L3MBTL1 (0.66) CYP1A2HCAR1L3MBTL1POLBTDP1
SCHEMBL7017759 0.76 CYP1A2 (0.43) HSP90AA1CYP1A2L3MBTL1POLBTDP1
SCHEMBL5821201 0.76 MAPK9 (0.58) HSP90AA1TDP1ALDH1A1
SCHEMBL1133466 0.74 TDP1 (0.66) CYP1A2L3MBTL1POLBTDP1NPC1
SCHEMBL3307780 0.72 HSP90AA1 (0.48) HSP90AA1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10811779 0.71 GAA (0.52) HSP90AA1HCAR1POLBMGLLALDH1A1
SCHEMBL15545763 0.70 L3MBTL1 (0.59) CYP1A2L3MBTL1POLBTDP1NPC1
SCHEMBL30939521 0.70 L3MBTL1 (0.59) CYP1A2L3MBTL1POLBTDP1NPC1

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-20110168543-A1 Microwave-Assisted Synthesis of Perfluorophthalocyanine Molecules NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-07-14 US disclosed
US-20110172437-A1 Perfluorophthalocyanine Molecules and Methods of Synthesis NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-07-14 US disclosed
EP-2285909-A1 PERFLUOROPHTHALOCYANINE MOLECULES AND METHODS FOR SYNTHESIS New Jersey Institute of Technology (US) 2011-02-23 EP disclosed
EP-2285907-A1 MICROWAVE-ASSISTED SYNTHESIS OF PERFLUOROPHTHALOCYANINE MOLECULES New Jersey Institute of Technology (US) 2011-02-23 EP disclosed
WO-2009148693-A1 PERFLUOROPHTHALOCYANINE MOLECULES AND METHODS FOR SYNTHESIS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2009-12-10 WO disclosed
WO-2009139973-A1 MICROWAVE-ASSISTED SYNTHESIS OF PERFLUOROPHTHALOCYANINE MOLECULES NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2009-11-19 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-20110172437-A1 Perfluorophthalocyanine Molecules and Methods of Synthesis PICALM, PFKFB3, FOS HSP90AA1 4328/4885CYP1A2 751/4885HCAR1 4392/4885

“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.