SCHEMBL3746887

SCHEMBL3746887

O=C1c2ccccc2-c2c(NCCNCCO)nc3ccccc3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.56
TOP1 P11387 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
TTR P02766 1/20 0.43
GLA P06280 1/20 0.43
RAD52 P43351 1/20 0.43
NSD2 O96028 2/20 0.42
FGB P02675 1/20 0.42
MMP14 P50281 1/20 0.42
NQO1 P15559 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.42

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
SCHEMBL3736588 0.79 TOP1 (0.69) TOP1GAAPOLBRAD52TOP2A
SCHEMBL7207025 0.79 TOP2B (0.68) TOP2BTOP1KDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL9205570 0.78 TOP2B (0.67) TOP2BTOP1KDM4EMAPK1ALDH1A1
SCHEMBL16895289 0.77 TOP1 (0.54) TOP1GAAPOLBRAB9AMITF
Ametantrone SCHEMBL3344151 0.73 TOP2B (1.00) TOP2BKDM4EMAPK1ALDH1A1GAA
Ametantrone SCHEMBL29723071 0.73 TOP2B (1.00) TOP2BKDM4EMAPK1ALDH1A1GAA
SCHEMBL9208748 0.72 TOP2B (0.59) TOP2BTOP1KDM4EMAPK1ALDH1A1
SCHEMBL28920651 0.72 KDM4E (0.45) TOP1KDM4EMAPK1ALDH1A1GAA
Hydrochloric Acid SCHEMBL11041980 0.72 TOP2B (0.97) TOP2BKDM4EMAPK1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL9198168 0.72 TOP2B (0.58) TOP2BTOP1KDM4EMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-04-30 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-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same IMPA1, IMPDH1, IPO5 TOP2B 432/4885TOP1 265/4885KDM4E 1726/4885

“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.