SCHEMBL2528702

SCHEMBL2528702

NC(=O)c1cc2n(c1)CCCNC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.34
▸ OPRD1 P41143 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ NNMT P40261 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKD1 Q15139 1/20 0.30
▸ PRKD2 Q9BZL6 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2517943 0.90 CHRNB2 (0.38) CHRNB2CHRNA4RPS6KA3OPRD1PNMT
SCHEMBL12283351 0.83 HDAC6 (0.47) HDAC6
SCHEMBL12283651 0.76 KDM5C (0.36) OPRD1HDAC6GAA
SCHEMBL18183986 0.71 HTR2C (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL31352213 0.68 KDM4E (0.36) HDAC6
SCHEMBL2519720 0.68 CA12 (0.41) PRKD3PRKD2SLC6A2SLC6A4SLC6A3
SCHEMBL22887771 0.68 CHRNB2 (0.38) CHRNB2CHRNA4PNMTPARP1
SCHEMBL24159099 0.67 PDE4B (0.37) HDAC6PARP1
Hydrochloric Acid SCHEMBL25335409 0.67 CHRNB2 (0.37) CHRNB2CHRNA4PNMTPARP1SLC6A2
SCHEMBL1938851 0.67 RPS6KA3 (0.35) CHRNB2CHRNA4RPS6KA3OPRD1SLC6A2

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-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CHRNB2 1542/4885CHRNA4 1465/4885RPS6KA3 1071/4885

“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.

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