SCHEMBL2928828

SCHEMBL2928828

NC1=CCN(C(c2ccc(Cl)cc2)c2ccc(Cn3ccnc3)cc2)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.50
CYP11B2 P19099 8/20 0.50
CYP19A1 P11511 5/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
FNTA P49354 3/20 0.40
PGGT1B P53609 3/20 0.40
FNTB P49356 2/20 0.40
CYP17A1 P05093 1/20 0.39

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
SCHEMBL2929683 0.80 ALDH1A1 (0.46)
SCHEMBL2926881 0.78 CYP2D6 (0.40) CYP19A1
SCHEMBL570342 0.71 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2925331 0.71 ALDH1A1 (0.44)
SCHEMBL2930261 0.69 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2928146 0.66 KDM4E (0.39)
SCHEMBL10223314 0.66 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.65 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL77025 0.64 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Oxalic Acid SCHEMBL11534580 0.64 CYP19A1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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 CYP11B1 2405/4885CYP11B2 2483/4885CYP19A1 3969/4885

“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.