SCHEMBL6069320

SCHEMBL6069320

O=[N+]([O-])c1cccc2c1cnn2CCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CNR2 P34972 3/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C9 P11712 1/20 0.43
CTSB P07858 1/20 0.43
CNR1 P21554 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 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
SCHEMBL6069287 0.90 MCHR1 (0.44) KMT2AMEN1CNR2TDP1CNR1
SCHEMBL6069740 0.89 ALDH1A1 (0.44) KMT2AMEN1CNR2CNR1
SCHEMBL27228200 0.84 EGFR (0.45) CYP2C19KMT2AMEN1CNR2POLB
SCHEMBL30861072 0.84 EGFR (0.45) CYP2C19KMT2AMEN1CNR2POLB
SCHEMBL30861009 0.80 TDP1 (0.46) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL27228011 0.80 TDP1 (0.46) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL28579801 0.79 EGFR (0.46) CYP2D6CNR2MAPTPOLBCNR1
SCHEMBL30711614 0.79 EGFR (0.46) CYP2D6CNR2MAPTPOLBCNR1
SCHEMBL27227901 0.79 ADORA2A (0.44) CYP2D6CNR2POLBCNR1
SCHEMBL6118688 0.79 TDP1 (0.44) CYP1A2CYP2D6CYP2C19POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 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 (3 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-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CYP1A2 2435/4885CYP2D6 2816/4885CYP2C19 2552/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CYP1A2 2435/4885CYP2D6 2816/4885CYP2C19 2552/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 CYP1A2 4674/4885CYP2D6 4429/4885CYP2C19 4510/4885

“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.