SCHEMBL730507

SCHEMBL730507

Fc1ccc(-c2cc3c4c(cccc4n2)-c2ccccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.52
CYP19A1 P11511 1/20 0.49
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APEX1 P27695 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTK2B Q14289 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL739152 0.86 DHODH (0.49) TOP1MAPTMEN1KMT2AAPEX1
SCHEMBL732138 0.86 TOP1 (0.50) TOP1MAPTMEN1KMT2AAPEX1
SCHEMBL732394 0.83 MEN1 (0.50) MAPTMEN1KMT2AAPEX1HPGD
SCHEMBL730142 0.81 ADORA2A (0.44) MAPTMEN1KMT2AAPEX1NPC1
SCHEMBL730175 0.80 CYP1A2 (0.49) MAPTMEN1KMT2AAPEX1CYP1A2
SCHEMBL731833 0.80 TNF (0.47) TOP1MAPTMEN1KMT2AAPEX1
SCHEMBL6659626 0.80 TOP1 (0.59) TOP1CYP19A1MAPTMKNK1MKNK2
SCHEMBL740550 0.78 MAPT (0.44) TOP1MAPTMEN1KMT2AAPEX1
SCHEMBL26775715 0.77 MAPT (0.50) TOP1MAPTMEN1KMT2AAPEX1
SCHEMBL729616 0.76 TOP1 (0.43) TOP1MAPTMEN1KMT2AAPEX1

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-8136974-B2 Metal coordination compound and light-emitting material containing the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-03-20 US disclosed
US-8136974-B2 Metal coordination compound and light-emitting material containing the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-03-20 US disclosed
US-8136974-B2 Metal coordination compound and light-emitting material containing the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2012-03-20 US disclosed
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-12-16 US disclosed
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-12-16 US disclosed
US-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME NATIONAL INSTITUTE OF ADVANCE INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-12-16 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-20100317858-A1 METAL COORDINATION COMPOUND AND LIGHT-EMITTING MATERIAL CONTAINING THE SAME CRY1, SOD1, L1CAM TOP1 1154/4885CYP19A1 1562/4885MAPT 2289/4885

“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.