SCHEMBL9926877

SCHEMBL9926877

O=[N+]([O-])c1ccc2cnn(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
FGFR1 P11362 1/20 0.42
GLS O94925 1/20 0.41
MAPK14 Q16539 1/20 0.40
CNR2 P34972 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL5382099 0.91 RAB9A (0.50) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL31039595 0.87 MEN1 (0.51) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL476742 0.87 MEN1 (0.51) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL24543271 0.82 MAPT (0.55) RAB9AALDH1A1NPC1POLBLMNA
SCHEMBL29368311 0.82 MAPT (0.55) RAB9AALDH1A1NPC1POLBLMNA
SCHEMBL6298255 0.81 MEN1 (0.48) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL30725849 0.81 MAPT (0.57) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL19961720 0.79 RAB9A (0.61) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL29741029 0.77 MAPT (0.43) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL9926875 0.76 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2NPC1POLB

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-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2012-06-14 US disclosed
WO-2009021747-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 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-20120149741-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SMN1; SMN2, ACVR2B, CPT1B RAB9A 2122/4885ALDH1A1 199/4885SMN1; SMN2 1/4885

“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.