SCHEMBL3595480

SCHEMBL3595480

O=C(OCc1ccccc1)c1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
BACE1 P56817 2/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49

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
SCHEMBL3596090 0.90 LMNA (0.51) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL8685995 0.86 HDAC8 (0.60) LMNABACE1HDAC1HDAC2HDAC10
SCHEMBL6179658 0.84 HDAC1 (0.55) KMT2ABACE1HDAC1HDAC2HDAC10
SCHEMBL7900780 0.83 TDP1 (0.53) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL1254414 0.80 MAPK14 (0.58) LMNATDP1SLC6A2SLC6A3KMT2A
SCHEMBL6086717 0.79 HDAC8 (0.58) LMNAKMT2ABACE1HDAC1HDAC2
SCHEMBL28808788 0.79 HDAC8 (0.52) BACE1HDAC1HDAC2HDAC10HDAC8
SCHEMBL8388261 0.79 HDAC1 (0.50) BACE1HDAC1HDAC2HDAC10HDAC8
SCHEMBL1608706 0.79 HDAC8 (0.72) BACE1HDAC1HDAC2HDAC10HDAC8
SCHEMBL6002245 0.79 KMT2A (0.70) LMNATDP1SLC6A2SLC6A3KMT2A

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 LMNA 4335/4885TDP1 4244/4885SLC6A2 4559/4885

“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.