SCHEMBL2929109

SCHEMBL2929109

COc1ccc2c(c1)C(N)=CCN2C(c1ccc(Cl)cc1)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR6 P50406 1/20 0.38
MLNR O43193 1/20 0.37
F10 P00742 3/20 0.37
MCHR1 Q99705 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
F2 P00734 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35

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
SCHEMBL2930051 0.92 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL2925290 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL2926881 0.84 CYP2D6 (0.40) LMNAHTR6F10CYP2D6CYP19A1
SCHEMBL2925247 0.82 PDE4B (0.45) SMN1; SMN2ALDH1A1KDM4ELMNAMAPK1
SCHEMBL2929683 0.74 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4ELMNAPOLB
SCHEMBL2925331 0.69 ALDH1A1 (0.44) ALDH1A1KDM4ELMNA
SCHEMBL592479 0.69 SIGMAR1 (0.67) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4464240 0.68 SIGMAR1 (0.65) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6290497 0.68 SIGMAR1 (0.65) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27883542 0.67 LTA4H (0.61) ALDH1A1KDM4ELMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP claimed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US claimed
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 SMN1; SMN2 4673/4885ALDH1A1 4027/4885KDM4E 315/4885

“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.