SCHEMBL3746499

SCHEMBL3746499

O=C(O)NCc1ccc2c(c1)nc(CO)n2CCCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38
ITK Q08881 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17675681 0.91 TBXA2R (0.39) HDAC1HDAC8TP53BACE1
SCHEMBL3734568 0.86 GRM2 (0.46) HDAC1HDAC8ITK
SCHEMBL3729186 0.82 POLB (0.41) HDAC1HDAC8KDM4EKMT2APOLB
SCHEMBL2875385 0.81 CNR2 (0.49) HDAC1HDAC8
SCHEMBL7879921 0.77 GNRHR (0.43) HDAC1HDAC8
SCHEMBL31069441 0.77
SCHEMBL13041703 0.75 RAB9A (0.40) HDAC1HDAC8KDM4ELMNAKMT2A
SCHEMBL6245220 0.75 GRM2 (0.47) HDAC1HDAC8POLBSMN1; SMN2
SCHEMBL3729573 0.74 RAB9A (0.42) KDM4ELMNAKMT2APOLBNPC1
SCHEMBL31069435 0.72 GRM2 (0.47) HDAC1HDAC8KDM4EKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 HDAC1 4126/4885HDAC8 4383/4885KDM4E 3678/4885

“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.