SCHEMBL6789606

SCHEMBL6789606

CNc1nc(N2CCN(c3ccc(C)cc3)CC2)nc(Nc2ccc(C)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.49
NOX5 Q96PH1 1/20 0.49
NOX3 Q9HBY0 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2C P28335 6/20 0.48
HTR2A P28223 3/20 0.47
MAPT P10636 7/20 0.45
MAPK1 P28482 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6789794 0.88 SCN9A (0.44) CYBBNOX5NOX3NOX4NOX1
SCHEMBL3236690 0.85 ROCK2 (0.53) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6788466 0.84 HRH4 (0.44) CYBBNOX5NOX3NOX4NOX1
SCHEMBL6788753 0.82 KMT2A (0.50) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL6789948 0.81 KDM4E (0.47) CYBBNOX5NOX3NOX4NOX1
SCHEMBL6785059 0.79 HRH4 (0.43) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6791293 0.79 MAPT (0.53) LMNACYP2C9HTR2CHTR2AMAPT
SCHEMBL6791292 0.78 DRD4 (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6784619 0.78 LMNA (0.43) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6353199 0.77 TRPV1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 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-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 CYBB 3414/4885NOX5 2045/4885NOX3 796/4885

“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.