SCHEMBL13977643

SCHEMBL13977643

[N-]=[N+]=NCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.56
▸ HPGD P15428 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44

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
SCHEMBL15233084 0.81 KDM2B (0.39) PTPN1HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL13525672 0.79 KMT2A (0.50) PTPN1HPGDSMN1; SMN2KDM4ECES2
SCHEMBL17311212 0.77 CA12 (0.46) KDM4EMAPTKMT2AMEN1TDP1
SCHEMBL30368172 0.77 CA12 (0.46) KDM4EMAPTKMT2AMEN1TDP1
SCHEMBL13655554 0.76 HDAC1 (0.57) HPGDNPC1RAB9AHDAC1HDAC8
SCHEMBL14765363 0.75 PTPN1 (0.67) PTPN1HPGDSMN1; SMN2KDM4ECES2
SCHEMBL4257933 0.75 PTPN1 (0.67) PTPN1HPGDSMN1; SMN2KDM4ECES2
SCHEMBL26922809 0.75 KMO (0.47) HPGDKDM4EALDH1A1HDAC1HDAC8
SCHEMBL29489791 0.75 PTPN1 (0.71) PTPN1HPGDSMN1; SMN2KDM4ECES2
SCHEMBL1974978 0.75 PTPN1 (0.71) PTPN1HPGDSMN1; SMN2KDM4ECES2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 — — US disclosed
US-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 — — US disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 — — US disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 — — US disclosed
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 — — WO disclosed
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 — — WO disclosed
WO-2012157900-A2 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF 서강대학교산학협력단 (KR) 2012-11-22 — — 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-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF SLC43A1, SLC7A5, SLC35B2 PTPN1 4490/4885HPGD 3315/4885SMN1; SMN2 4030/4885

“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.

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