SCHEMBL730175

SCHEMBL730175

c1ccc2c(c1)-c1cccc3nc(-c4ccc5ccccc5c4)cc-2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAOB P27338 1/20 0.44
PIM1 P11309 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
AR P10275 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 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 0.83 DHODH (0.49) CYP1A2MAPTMEN1KMT2AAPEX1
SCHEMBL732138 0.82 TOP1 (0.50) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL740550 0.81 MAPT (0.44) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL730507 0.80 TOP1 (0.52) CYP1A2MAOBMAPTMEN1KMT2A
SCHEMBL732394 0.80 MEN1 (0.50) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL19237785 0.80 PTGES (0.41) CYP1A2PIM1MAPTMEN1KMT2A
SCHEMBL732385 0.79 BIRC5 (0.46) MAOBMAPTMEN1KMT2AAPEX1
SCHEMBL730315 0.79 KMT2A (0.49) MAPTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL730190 0.77 MAPT (0.43) CYP1A2MAPTMEN1KMT2AAPEX1
SCHEMBL19237788 0.77 PTGES (0.39) CYP1A2PIM1MAPTMEN1KMT2A

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 CYP1A2 1964/4885CYP1A1 1242/4885CYP1B1 1686/4885

“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.