SCHEMBL2933281

SCHEMBL2933281

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCHR1 Q99705 2/20 0.48
CXCR3 P49682 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADORA1 P30542 4/20 0.45
GPR183 P32249 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2930516 0.82 KDM4E (0.50) KDM4ESMN1; SMN2MCHR1CXCR3HDAC1
SCHEMBL2930518 0.82 KDM4E (0.50) KDM4ESMN1; SMN2MCHR1CXCR3HDAC1
SCHEMBL20210280 0.81 KDM4E (0.59) KDM4ESMN1; SMN2HDAC1HDAC6ALDH1A1
SCHEMBL20195981 0.80 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2933311 0.80 ALDH1A1 (0.49) KDM4EHDAC1HDAC6ALDH1A1HPGD
SCHEMBL2929035 0.79 ALDH1A1 (0.70) KDM4EMCHR1HDAC1HDAC6GPR183
SCHEMBL31010076 0.79 KDM4E (0.70) KDM4ESMN1; SMN2CXCR3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL23850500 0.76 CXCR3 (0.65) KDM4ESMN1; SMN2CXCR3GPR183ALDH1A1
SCHEMBL3872686 0.75 DRD2 (0.68) MCHR1
Ammonia Solution, Strong SCHEMBL2927635 0.75 KDM4E (0.55) KDM4ESMN1; SMN2CXCR3ALDH1A1KMT2A

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 4673/4885MCHR1 3775/4885

“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.