SCHEMBL2930516

SCHEMBL2930516

O/N=C(\c1ccc(Cl)cc1)c1ccc(CN2CCCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CXCR3 P49682 7/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MCHR1 Q99705 2/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPR183 P32249 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2930518 1.00 KDM4E (0.50) KDM4ESMN1; SMN2CXCR3MAPTMAPK1
SCHEMBL2933281 0.82 KDM4E (0.52) KDM4ESMN1; SMN2CXCR3MAPTALDH1A1
SCHEMBL31010076 0.77 KDM4E (0.70) KDM4ESMN1; SMN2CXCR3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL23850500 0.74 CXCR3 (0.65) KDM4ESMN1; SMN2CXCR3ALDH1A1GPR183
SCHEMBL20210280 0.74 KDM4E (0.59) KDM4ESMN1; SMN2L3MBTL1ALDH1A1HDAC1
Ammonia Solution, Strong SCHEMBL2927635 0.73 KDM4E (0.55) KDM4ESMN1; SMN2CXCR3ALDH1A1KMT2A
SCHEMBL20195981 0.72 KDM4E (0.62) KDM4ESMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL2927630 0.71 KDM4E (0.52) KDM4ESMN1; SMN2CXCR3ALDH1A1KMT2A
SCHEMBL19634064 0.71 ALDH1A1 (0.58) KDM4ESMN1; SMN2CXCR3ALDH1A1KMT2A
SCHEMBL1395268 0.70 KDM4E (0.67) KDM4ESMN1; SMN2CXCR3ALDH1A1

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 KDM4E 315/4885SMN1; SMN2 4673/4885CXCR3 1886/4885

“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.