SCHEMBL3300296

SCHEMBL3300296

COc1ccc(-c2[nH]nnc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 7/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC7 Q8WUI4 7/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 1/20 0.41
LTB4R Q15722 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL411516 0.99 NPSR1 (0.42) NPSR1HDAC3HDAC1HDAC7HDAC8
SCHEMBL3303665 0.92 NPC1 (0.39) NPSR1SMN1; SMN2PKMTSHRKDM4E
Hydrochloric Acid SCHEMBL411938 0.91 PDE4A (0.39) NPSR1SMN1; SMN2PKMTSHRALDH1A1
SCHEMBL13041260 0.91 NPSR1 (0.50) NPSR1LMNALTB4RSMN1; SMN2PKM
SCHEMBL412790 0.90 NPSR1 (0.41) NPSR1LMNALTB4RSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL4629522 0.90 NPSR1 (0.41) NPSR1LMNALTB4RSMN1; SMN2PKM
SCHEMBL413515 0.89 EGFR (0.43) NPSR1HDAC3HDAC1HDAC7HDAC8
SCHEMBL14401731 0.88 NPSR1 (0.39) NPSR1LMNALTB4RSMN1; SMN2PKM
SCHEMBL411454 0.87 POLB (0.43) NPSR1LMNALTB4RSMN1; SMN2PKM
SCHEMBL410798 0.86 NPSR1 (0.38) NPSR1HDAC3HDAC1HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2013-12-19 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 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 (3 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 NPSR1 1837/4885HDAC3 288/4885HDAC1 132/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK NPSR1 1431/4885HDAC3 22/4885HDAC1 125/4885
US-20130338112-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 NPSR1 1837/4885HDAC3 288/4885HDAC1 132/4885

“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.