SCHEMBL3045774

SCHEMBL3045774

O=C(NCCc1cccnc1)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 7/20 0.43
EIF4E P06730 1/20 0.43
PARP1 P09874 2/20 0.42
PTAFR P25105 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SNCA P37840 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
DHFR P00374 1/20 0.39
PIK3CA P42336 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
SCHEMBL3044094 0.92 LMNA (0.48) EIF4EKMT2ASMN1; SMN2GAALMNA
SCHEMBL3048204 0.90 HDAC2 (0.41) HDAC2HDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL27700217 0.85 HDAC2 (0.44) HDAC2HDAC8HDAC6NAMPTEIF4E
SCHEMBL3041991 0.85 LMNA (0.42) NAMPTPARP1KMT2ASMN1; SMN2MEN1
SCHEMBL3041519 0.85 HPGD (0.45) HDAC6PARP1KMT2ASMN1; SMN2MEN1
SCHEMBL3046632 0.85 HTR5A (0.40) MAPT
SCHEMBL3046947 0.84 AURKA (0.46) KMT2ASMN1; SMN2MEN1NPC1GAA
SCHEMBL3051466 0.83 ALDH1A1 (0.42) NAMPTEIF4EPARP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3040466 0.83 KDR (0.42) PARP1KMT2AMEN1
SCHEMBL3039016 0.83 KDR (0.44) PARP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 HDAC2 252/4885HDAC8 31/4885HDAC6 596/4885

“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.