SCHEMBL2931423

SCHEMBL2931423

NC(c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NCF1 P14598 1/20 0.49
CYP2A13 Q16696 5/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 1/20 0.48
PRKD3 O94806 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKD1 Q15139 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 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
SCHEMBL2926469 0.88 ALDH1A1 (0.50) SMN1; SMN2HRH3ALDH1A1SIGMAR1HTT
SCHEMBL2923318 0.86 CYP2A13 (0.63) PDE4BNCF1CYP2A13ALDH1A1SIGMAR1
SCHEMBL11365429 0.82 NCF1 (0.60) SMN1; SMN2NCF1CYP2A13HRH3MEN1
Hydrochloric Acid SCHEMBL11184148 0.80 NCF1 (0.57) SMN1; SMN2NCF1CYP2A13HRH3MEN1
SCHEMBL4115394 0.78 SIGMAR1 (0.72) PDE4BSMN1; SMN2NCF1CYP2A13HRH3
Ammonia Solution, Strong SCHEMBL2931430 0.75 SIGMAR1 (0.58) PDE4BSMN1; SMN2NCF1CYP2A13HRH3
SCHEMBL21396382 0.74 HRH3 (0.61) SMN1; SMN2NCF1HRH3ALDH1A1HPGD
SCHEMBL21388663 0.74 HRH3 (0.61) SMN1; SMN2NCF1HRH3ALDH1A1HPGD
SCHEMBL14846691 0.74 HRH3 (0.61) SMN1; SMN2NCF1HRH3ALDH1A1HPGD
SCHEMBL2930004 0.74 KDM4E (0.48) CYP2A13MEN1ALDH1A1KMT2ASIGMAR1

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 disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US disclosed
EP-2121616-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS Campiani, Giuseppe (IT) 2009-11-25 EP disclosed
WO-2008101891-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2008-08-28 WO 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 PDE4B 556/4885SMN1; SMN2 4673/4885NCF1 911/4885

“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.