SCHEMBL6814192

SCHEMBL6814192

NC1=Nc2ccccc2Nc2cscc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.38
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NOS2 P35228 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 2/20 0.32
PPARG P37231 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4204909 0.80 CYP1A2 (0.48) LMNACYP1A2CYP2D6GAADRD2
Hydrochloric Acid SCHEMBL5557868 0.79 CYP1A2 (0.47) LMNACYP1A2CYP2D6GAADRD2
SCHEMBL11531278 0.78 MAPT (0.38) LMNADRD2DRD4MAPTMEN1
SCHEMBL11532653 0.78 DRD2 (0.40) LMNACYP1A2CYP2D6DRD2DRD4
SCHEMBL11637517 0.76 DRD2 (0.37) LMNAGAADRD2DRD4MAPT
SCHEMBL11531128 0.75 NOX1 (0.35) CHRM1PTGS2
SCHEMBL11531742 0.75 GRM2 (0.38) NOS2
SCHEMBL14156597 0.72 LMNA (0.44) LMNACYP1A2CYP2D6GAADRD2
SCHEMBL4836296 0.72 LMNA (0.38) LMNACYP1A2CYP2D6GAADRD2
SCHEMBL11635201 0.72 DRD2 (0.54) LMNACYP1A2CYP2D6GAADRD2

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-20040063694-A1 Compound useful for the treatment of CNS disorders BROWDER MONTE R (US) 2004-04-01 US disclosed
WO-2003104239-A1 COMPOUND FOR THE TREATMENT OF CNS DISORDERS IVAX CORPORATION (US) 2003-12-18 WO disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 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-20040063694-A1 Compound useful for the treatment of CNS disorders HMGCR, GRIN2C, CYP11B2 LMNA 2840/4885CYP1A2 101/4885CYP2D6 115/4885

“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.