SCHEMBL13937523

SCHEMBL13937523

CC(C)(C)c1ccnc(OCCCN2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ HRH3 Q9Y5N1 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SCN1A P35498 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ SCN3A Q9NY46 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PIK3CA P42336 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44

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
SCHEMBL11988200 0.74 CYP2D6 (0.53) CYP2D6CYP3A4ALDH1A1HRH3MAPK1
SCHEMBL13166930 0.71 HRH3 (0.74) ALDH1A1HRH3MAPK1SIGMAR1CYP1A2
SCHEMBL5067145 0.70 MKNK1 (0.54) CYP2D6ALDH1A1HRH3MAPK1SIGMAR1
SCHEMBL15218386 0.70 CYP3A4 (0.54) CYP2D6CYP3A4
SCHEMBL427032 0.69 SIGMAR1 (0.54) CYP2D6CYP3A4ALDH1A1HRH3MAPK1
SCHEMBL20249190 0.69 CA12 (0.58) CYP2D6CYP3A4ALDH1A1HRH3MAPK1
SCHEMBL15889700 0.69 AXL (0.61) —
SCHEMBL24302749 0.69 SMN1; SMN2 (0.60) CYP2D6CYP3A4ALDH1A1HRH3MAPK1
SCHEMBL3106382 0.69 PIK3CA (0.48) ALDH1A1PIK3CATSHRKDM4ESMN1; SMN2
SCHEMBL23516851 0.69 MAPK8 (0.38) CYP1A2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — 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-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CYP2D6 2906/4885CYP3A4 856/4885ALDH1A1 642/4885

“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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