SCHEMBL3224598

SCHEMBL3224598

NNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
MAPK14 Q16539 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL13423690 0.83 GRIN1 (0.54) HDAC8HDAC6HDAC1SMN1; SMN2MAPK14
SCHEMBL3205630 0.82 TSHR (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3224811 0.82 CA1 (0.56) HDAC8HDAC6HDAC1SMN1; SMN2MAPK14
SCHEMBL3200151 0.80 NPC1 (0.68) MAPTMEN1KMT2ACYP2C9SMN1; SMN2
SCHEMBL1706875 0.80 NPC1 (0.67) ALDH1A1MAPTL3MBTL1HDAC8HDAC6
SCHEMBL3218355 0.80 MAPK14 (0.74) HDAC8HDAC6HDAC1MEN1KMT2A
SCHEMBL295004 0.80 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1HDAC1MEN1
SCHEMBL3211250 0.79 HIF1A (0.51) HDAC8HDAC6HDAC1MEN1KMT2A
SCHEMBL3217125 0.79 CYP1A2 (0.45) MAPTHDAC8HDAC6HDAC1MEN1
SCHEMBL3200138 0.79 CFD (0.61) HDAC8HDAC6HDAC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 3255/4885MAPT 2738/4885L3MBTL1 1066/4885

“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.