SCHEMBL12412568

SCHEMBL12412568

CC(C)(C)c1cnc(N2CCC(N)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ ACACB O00763 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ AKT2 P31751 4/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ CAMK1D Q8IU85 2/20 0.37
▸ IDH2 P48735 1/20 0.36
▸ DKK1 O94907 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL12412582 0.90 HRH4 (0.47) ACACBHRH4HRH3CAMK1D
SCHEMBL12412537 0.83 ACACB (0.42) ACACBHRH3IDH2MEN1KMT2A
SCHEMBL23335993 0.83 IDH2 (0.48) PTPN11IDH2GPR119
Hydrochloric Acid SCHEMBL23296834 0.81 IDH2 (0.47) PTPN11IDH2GPR119
SCHEMBL13587921 0.80 GPR119 (0.49) PTPN11KDM1AHRH3AKT2SSTR2
SCHEMBL17404856 0.80 HRH3 (0.39) ACACBHRH3MEN1KMT2ATDP1
SCHEMBL9906408 0.80 MEN1 (0.40) ACACBHRH3MEN1KMT2ATDP1
SCHEMBL12459039 0.80 MEN1 (0.40) ACACBHRH3MEN1KMT2ATDP1
SCHEMBL21118829 0.79 KDM4E (0.50) HRH4HRH3CKS1BSKP1SKP2
SCHEMBL10203175 0.79 L3MBTL3 (0.46) ACACBHRH3

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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI PTPN11 1600/4885ACACB 1323/4885HRH4 3053/4885

“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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