SCHEMBL732138

SCHEMBL732138

c1ccc(-c2cc3c4c(cccc4n2)-c2ccccc2-3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
APEX1 P27695 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ACACA Q13085 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DHODH Q02127 1/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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 0.96 DHODH (0.49) TOP1ACHEMEN1KMT2AMAPT
SCHEMBL740550 0.91 MAPT (0.44) TOP1ACHEMEN1KMT2AMAPT
SCHEMBL23095416 0.88 MAPT (0.56) TOP1ACHEMEN1KMT2AMAPT
SCHEMBL732394 0.86 MEN1 (0.50) MEN1KMT2AMAPTAPEX1HPGD
SCHEMBL730507 0.86 TOP1 (0.52) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL730315 0.84 KMT2A (0.49) ACHEMEN1KMT2AMAPTAPEX1
SCHEMBL732385 0.84 BIRC5 (0.46) MEN1KMT2AMAPTAPEX1SMN1; SMN2
SCHEMBL26775715 0.82 MAPT (0.50) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL730175 0.82 CYP1A2 (0.49) MEN1KMT2AMAPTAPEX1SMN1; SMN2
SCHEMBL731833 0.82 TNF (0.47) TOP1MEN1KMT2AMAPTAPEX1

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 1154/4885ACHE 377/4885MEN1 678/4885

“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.