SCHEMBL2931828

SCHEMBL2931828

COc1ccc2c(c1)C(N)=CCN2C(c1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGIR P43119 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4B Q07343 1/20 0.35

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
SCHEMBL2925247 0.92 PDE4B (0.45) MAPTTSHRKDM4EALDH1A1LMNA
SCHEMBL2930051 0.92 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPK1F10
SCHEMBL2930922 0.91 KDM4E (0.37) MAPTTSHRKDM4EALDH1A1LMNA
SCHEMBL2930911 0.84 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2929109 0.84 SMN1; SMN2 (0.40) KDM4EALDH1A1LMNAMAPK1F10
SCHEMBL2925290 0.84 SMN1; SMN2 (0.48) TSHRKDM4EALDH1A1LMNAMAPK1
SCHEMBL2929683 0.77 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL2926102 0.70 OPRL1 (0.37) KDM4EALDH1A1SIGMAR1
SCHEMBL4554452 0.69 DRD2 (0.40) TSHRLMNAMAPK1SMN1; SMN2MEN1
SCHEMBL2926881 0.69 CYP2D6 (0.40) LMNAF10MEN1KMT2ASIGMAR1

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 MAPT 2008/4885TSHR 4275/4885KDM4E 315/4885

“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.