SCHEMBL729616

SCHEMBL729616

FC(F)(F)c1cc(-c2cc3c4c(cccc4n2)-c2ccccc2-3)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.43
MAOB P27338 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
APEX1 P27695 1/20 0.40
PIK3CG P48736 1/20 0.40
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PARP1 P09874 2/20 0.36
RUVBL1 Q9Y265 1/20 0.36

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
SCHEMBL732138 0.79 TOP1 (0.50) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL26775715 0.76 MAPT (0.50) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL730507 0.76 TOP1 (0.52) TOP1MAOBMEN1KMT2AMAPT
SCHEMBL731833 0.76 TNF (0.47) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL739152 0.76 DHODH (0.49) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL740550 0.74 MAPT (0.44) TOP1MEN1KMT2AMAPTAPEX1
SCHEMBL730175 0.73 CYP1A2 (0.49) MAOBMEN1KMT2AMAPTAPEX1
SCHEMBL732394 0.73 MEN1 (0.50) MEN1KMT2AMAPTAPEX1ADORA2A
SCHEMBL732385 0.72 BIRC5 (0.46) MAOBMEN1KMT2AMAPTAPEX1
SCHEMBL730315 0.72 KMT2A (0.49) MEN1KMT2AMAPTAPEX1ADORA2A

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 1154/4885MAOB 2490/4885MEN1 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.