SCHEMBL2930922

SCHEMBL2930922

COc1ccc2c(c1)C(N)=CCN2C(c1cccc(Cl)c1)c1ccc(CN2CCCC2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F10 P00742 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CFTR P13569 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
GSK3B P49841 1/20 0.33
HTR7 P34969 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL2931828 0.91 MAPT (0.40) KDM4EMAPTALDH1A1TSHRLMNA
SCHEMBL2925247 0.83 PDE4B (0.45) KDM4EMAPTALDH1A1TSHRLMNA
SCHEMBL2930051 0.82 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPK1POLB
SCHEMBL2926102 0.80 OPRL1 (0.37) KDM4EALDH1A1POLBTDP1HTR7
SCHEMBL2929138 0.78 CYP2A13 (0.49) KDM4EMAPTSIGMAR1
SCHEMBL2930911 0.75 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPK1MEN1
SCHEMBL2929109 0.75 SMN1; SMN2 (0.40) KDM4EALDH1A1LMNAMAPK1POLB
SCHEMBL2925290 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL2924633 0.73 CYP2A13 (0.41) KDM4EALDH1A1LMNAPOLB
SCHEMBL2930004 0.71 KDM4E (0.48) KDM4EMAPTALDH1A1POLBTDP1

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 3 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
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 KDM4E 315/4885MAPT 2008/4885ALDH1A1 4027/4885

“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.