SCHEMBL4187946

SCHEMBL4187946

O=C1c2ccc3ccccc3c2C(=O)N1CCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.51
RGS12 O14924 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
PABPC1 P11940 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.48
HEXA P06865 3/20 0.45
HEXB P07686 3/20 0.45
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DNMT1 P26358 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 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
SCHEMBL4997819 0.91 HEXA (0.55) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL4448748 0.85 DNMT1 (0.41) RAB9ASMN1; SMN2HEXAHEXBDNMT1
SCHEMBL11877346 0.84 DNMT1 (0.46) ALDH1A1MEN1KMT2AHTTRGS12
SCHEMBL11500864 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTRGS12
SCHEMBL10396735 0.82 BCHE (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2641523 0.82 POLB (0.60) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL4997234 0.81 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5953603 0.80 SIRT1 (0.59) HEXAHEXB
SCHEMBL6586389 0.80 DNMT1 (0.43) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL12235635 0.78 CYP1B1 (0.53) KDM4EALDH1A1MEN1KMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029545-B1 Bisnaphthalimidopropyl derivatives with anti-parasite and anti-cancer activity UNIV DO PORTO (PT) 2014-12-17 EP disclosed
US-8350036-B2 Bisnaphthalimidopropyl derivative compounds with anti-parasite and anti-cancer activity UNIVERSIDADE DO PORTO (PT) 2013-01-08 US disclosed
US-20090062329-A1 BISNAPHTHALIMIDOPROPYL DERIVATIVE COMPOUNDS WITH ANTI-PARASITE AND ANTI-CANCER ACTIVITY UNIVERSIDADE DO PORTO (PT) 2009-03-05 US disclosed
EP-2029545-A2 BISNAPHTHALIMIDOPROPYL DERIVATIVE COMPOUNDS WITH ANTI-PARASITE AND ANTI-CANCER ACTIVITY Universidade Do Porto (PT) 2009-03-04 EP disclosed
WO-2008007262-A2 BISNAPHTHALIMIDOPROPYL DERIVATIVE COMPOUNDS WITH ANTI-PARASITE AND ANTI-CANCER ACTIVITY UNIVERSIDADE DO PORTO (PT) 2008-01-17 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-20090062329-A1 BISNAPHTHALIMIDOPROPYL DERIVATIVE COMPOUNDS WITH ANTI-PARASITE AND ANTI-CANCER ACTIVITY DCPS, SI, MYADM KDM4E 2357/4885ALDH1A1 3939/4885MEN1 1100/4885

“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.