SCHEMBL12364939

SCHEMBL12364939

CC(=O)Nc1cc2c(cc1N=O)CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.40
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ DHODH Q02127 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ HTT P42858 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL12424543 0.95 BAZ2B (0.41) BAZ2BRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12424546 0.80 BAZ2B (0.43) BAZ2BRAB9ANPC1MAPTHTT
SCHEMBL12365892 0.80 KDM4E (0.43) RAB9ANPC1SMN1; SMN2MAPTMAOA
SCHEMBL12364375 0.79 NPC1 (0.35) RAB9ANPC1MAPTHTTMAOA
SCHEMBL19995850 0.76 ALDH1A1 (0.44) BAZ2BRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12365761 0.76 KDM4E (0.46) RAB9ANPC1SMN1; SMN2MAPTMAOA
SCHEMBL12364937 0.75 BAZ2B (0.48) BAZ2BRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL19995817 0.75 CA1 (0.45) BAZ2BRAB9ANPC1SMN1; SMN2DHODH
SCHEMBL19995853 0.73 ALDH1A1 (0.44) BAZ2BRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2785659 0.72 LMNA (0.60) RAB9ASMN1; SMN2DHODHMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 — — US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 — — 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-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 BAZ2B 1238/4885RAB9A 4579/4885NPC1 2111/4885

“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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