SCHEMBL2928330

SCHEMBL2928330

O=C(c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CA2 P00918 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 1/20 0.54
PRKD3 O94806 1/20 0.54
KMT2A Q03164 1/20 0.54
PRKD1 Q15139 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HIF1A Q16665 2/20 0.53
EPAS1 Q99814 2/20 0.53
TP53 P04637 2/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C3 P42330 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL2932980 0.88 MCHR1 (0.56) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL3304078 0.86 CYP2A13 (0.63) SMN1; SMN2NPC1CA2ALDH1A1HPGD
SCHEMBL28529627 0.86 HIF1A (0.68) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
SCHEMBL2929466 0.86 NPC1 (0.71) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
SCHEMBL8027548 0.86 HPGD (0.68) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
Hydrochloric Acid SCHEMBL27789112 0.84 HPGD (0.66) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
SCHEMBL27789191 0.83 CA2 (0.68) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
SCHEMBL5592054 0.83 KDM4E (0.59) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11192966 0.82 CA2 (0.64) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
Hydrochloric Acid SCHEMBL11194321 0.81 CA2 (0.65) SMN1; SMN2NPC1RAB9ACA2ALDH1A1

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 SMN1; SMN2 4673/4885NPC1 3594/4885RAB9A 487/4885

“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.