SCHEMBL7795075

SCHEMBL7795075

O=C1Cc2sccc2CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
CRBN Q96SW2 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PARP10 Q53GL7 7/20 0.36
PARP1 P09874 6/20 0.36
PARP11 Q9NR21 3/20 0.36
PDPK1 O15530 1/20 0.36
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
OR51E2 Q9H255 1/20 0.32
FKBP5 Q13451 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL31021243 0.82 PNMT (0.42) PNMTDRD2DRD1DRD4DRD5
SCHEMBL7795528 0.72 PNMT (0.45) PNMTDRD2DRD1DRD4DRD5
SCHEMBL5460023 0.71 CYP2A6 (0.46) PNMTDRD2DRD1DRD4DRD5
SCHEMBL390083 0.71 PARP10 (0.46) PNMTPARP10PARP1PARP11PDPK1
SCHEMBL2061125 0.69 PARP10 (0.53) PNMTDRD2DRD1DRD4DRD5
SCHEMBL279918 0.69
SCHEMBL997292 0.69 PNMT (0.75) PNMTDRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL11181806 0.67 PNMT (0.72) PNMTDRD2DRD1DRD4DRD5
SCHEMBL11088 0.67
Bromide SCHEMBL2263979 0.67 PNMT (0.72) PNMTDRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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 (2 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 PNMT 3779/4885DRD2 4536/4885DRD1 4742/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PNMT 3779/4885DRD2 4536/4885DRD1 4742/4885

“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.